Exact Mass: 331.1267106
Exact Mass Matches: 331.1267106
Found 500 metabolites which its exact mass value is equals to given mass value 331.1267106,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Ciprofloxacin
C17H18FN3O3 (331.13321300000007)
Ciprofloxacin is only found in individuals that have used or taken this drug. It is a broad-spectrum antimicrobial carboxyfluoroquinoline.The bactericidal action of ciprofloxacin results from inhibition of the enzymes topoisomerase II (DNA gyrase) and topoisomerase IV, which are required for bacterial DNA replication, transcription, repair, strand supercoiling repair, and recombination. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors S - Sensory organs > S03 - Ophthalmological and otological preparations > S03A - Antiinfectives > S03AA - Antiinfectives D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AE - Fluoroquinolones D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent S - Sensory organs > S02 - Otologicals > S02A - Antiinfectives > S02AA - Antiinfectives C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic CONFIDENCE standard compound; EAWAG_UCHEM_ID 276 KEIO_ID C133; [MS3] KO008906 KEIO_ID C133; [MS2] KO008905 KEIO_ID C133 Ciprofloxacin (Bay-09867) is a potent, orally active topoisomerase IV inhibitor. Ciprofloxacin induces mitochondrial DNA and nuclear DNA damage and lead to mitochondrial dysfunction, ROS production. Ciprofloxacin has anti-proliferative activity and induces apoptosis. Ciprofloxacin is a fluoroquinolone antibiotic, exhibiting potent antibacterial activity[1][2][3][4]. Ciprofloxacin (Bay-09867) is a potent, orally active topoisomerase IV inhibitor. Ciprofloxacin induces mitochondrial DNA and nuclear DNA damage and lead to mitochondrial dysfunction, ROS production. Ciprofloxacin has anti-proliferative activity and induces apoptosis. Ciprofloxacin is a fluoroquinolone antibiotic, exhibiting potent antibacterial activity[1][2][3][4].
Sekisanin
Nizatidine
Nizatidine is only found in individuals that have used or taken this drug. It is a histamine H2 receptor antagonist with low toxicity that inhibits gastric acid secretion. The drug is used for the treatment of duodenal ulcers. [PubChem]Nizatidine competes with histamine for binding at the H2-receptors on the gastric basolateral membrane of parietal cells. Competitive inhibition results in reduction of basal and nocturnal gastric acid secretions. The drug also decreases the gastric acid response to stimuli such as food, caffeine, insulin, betazole, or pentagastrin. A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BA - H2-receptor antagonists C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents Nizatidine is a potent and orally active histamine H2 receptor antagonist, can be used for the research of stomach?and?intestines ulcers. Nizatidine works by decreasing the secretion of gastric?acid the stomach makes and prevent ulcers from coming back after they have healed in animal models[1].
Pretazettine
Pretazettine, also known as pretazettine hydrochloride, (6abeta,8beta)-isomer, is a member of the class of compounds known as tazettine-type amaryllidaceae alkaloids. Tazettine-type amaryllidaceae alkaloids are amaryllidaceae alkaloids derived from the haemanthamine-type alkaloids, which are characterized as a linkage between C6 and C11 by an oxygen atom to form a [3,4-g]benzopyran framework. Pretazettine is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Pretazettine can be found in lovage, which makes pretazettine a potential biomarker for the consumption of this food product.
Pitolisant hydrochloride
C78272 - Agent Affecting Nervous System Pitolisant hydrochloride is a potent and selective nonimidazole inverse agonist at the recombinant human histamine H3 receptor (Ki=0.16 nM).
Alitame
C14H25N3O4S (331.15656900000005)
Alitame is a sweetening agent. It is intensely sweet, approximately 2000 times sweeter than sucrose. Its use is currently (1999) permitted in Australia, New Zealand, Indonesia and China. Alitame is an artificial sweetener developed by Pfizer in the early 1980s and currently marketed in some countries under the brand name Aclame. Like aspartame, alitame is an aspartic acid-containing dipeptide. Most dipeptides are not sweet, but the unexpected discovery of aspartame in 1965 led to a search for similar compounds that shared its sweetness. Alitame is one such second-generation dipeptide sweetener. Neotame, developed by the owners of the NutraSweet brand, is another. Sweetening agent. Intensely sweet, approx. 2000 x sucrose. Use currently (1999) permitted in Australia, New Zealand, Indonesia and China
Citbrasine
Citbrasine is found in citrus. Citbrasine is an alkaloid from the root bark of Citrus sinensis var. brasiliensis (navel orange). Alkaloid from the root bark of Citrus sinensis variety brasiliensis (navel orange). Citbrasine is found in citrus.
R-95913
C18H18FNO2S (331.10422200000005)
R-95913 is only found in individuals that have used or taken Prasugrel. R-95913 is a metabolite of Prasugrel. R-95913 belongs to the family of Thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring.
5'-O-Desmethyl omeprazole
C16H17N3O3S (331.09905720000006)
5-O-Desmethyl omeprazole is only found in individuals that have used or taken Omeprazole. 5-O-Desmethyl omeprazole is a metabolite of Omeprazole. 5-o-desmethyl omeprazole belongs to the family of Sulfinylbenzimidazoles. These are polycyclic aromatic compounds containing a sulfinyl group attached at the position 2 of a benzimidazole moiety.
N'-Hydroxyneosaxitoxin
N-Hydroxyneosaxitoxin is isolated from the crab Zosimus aeneus. Isolated from the crab Zosimus aeneus.
6-Hydroxyoct-2-enedioylcarnitine
6-hydroxyoct-2-enedioylcarnitine is an acylcarnitine. More specifically, it is an 6-hydroxyoct-2-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 6-hydroxyoct-2-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 6-hydroxyoct-2-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
6-Hydroxyoct-3-enedioylcarnitine
6-hydroxyoct-3-enedioylcarnitine is an acylcarnitine. More specifically, it is an 6-hydroxyoct-3-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 6-hydroxyoct-3-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 6-hydroxyoct-3-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
7-Hydroxyoct-3-enedioylcarnitine
7-hydroxyoct-3-enedioylcarnitine is an acylcarnitine. More specifically, it is an 7-hydroxyoct-3-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 7-hydroxyoct-3-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 7-hydroxyoct-3-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
7-Hydroxyoct-4-enedioylcarnitine
7-hydroxyoct-4-enedioylcarnitine is an acylcarnitine. More specifically, it is an 7-hydroxyoct-4-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 7-hydroxyoct-4-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 7-hydroxyoct-4-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
5-Hydroxyoct-2-enedioylcarnitine
5-hydroxyoct-2-enedioylcarnitine is an acylcarnitine. More specifically, it is an 5-hydroxyoct-2-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 5-hydroxyoct-2-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 5-hydroxyoct-2-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
(2R,3R,4S,5S,6R)-6-[[5-Hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxymethyl]oxane-2,3,4,5-tetrol
5'-O-beta-D-Glucosylpyridoxine
(R)-2-Amino-3-benzylthio-N-(4-nitrophenyl)propionamide
C16H17N3O3S (331.09905720000006)
(E)-2-(3-(Naphthalen-2-yl)but-2-enamido)benzoic acid
4-(4-Fluorophenyl)-3-(4-hydroxy-3-methoxyphenoxymethyl)piperidine
Didesethylflurazepam
4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole
4H-1,2,4-Triazole, 3-(trans-1-(4-chlorophenyl)-3-fluorocyclobutyl)-4,5-dicyclopropyl-
Axid Ar
16alpha, 17-epoxy gibberellin A9
16alpha, 17-epoxy gibberellin a9 is also known as 16α, 17-epoxy ga9. 16alpha, 17-epoxy gibberellin a9 is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 16alpha, 17-epoxy gibberellin a9 can be found in a number of food items such as mugwort, natal plum, radish, and prickly pear, which makes 16alpha, 17-epoxy gibberellin a9 a potential biomarker for the consumption of these food products. 16α, 17-epoxy gibberellin a9 is also known as 16α, 17-epoxy ga9. 16α, 17-epoxy gibberellin a9 is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 16α, 17-epoxy gibberellin a9 can be found in a number of food items such as mugwort, natal plum, radish, and prickly pear, which makes 16α, 17-epoxy gibberellin a9 a potential biomarker for the consumption of these food products.
4-hydroxy-2-nonenal-[Cys-Gly] conjugate
4-hydroxy-2-nonenal-[cys-gly] conjugate is a member of the class of compounds known as N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. 4-hydroxy-2-nonenal-[cys-gly] conjugate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 4-hydroxy-2-nonenal-[cys-gly] conjugate can be found in a number of food items such as persian lime, silver linden, black raspberry, and nutmeg, which makes 4-hydroxy-2-nonenal-[cys-gly] conjugate a potential biomarker for the consumption of these food products.
N1-(3-Methoxyphenyl)-2-cyano-3-(4-methylpiperidino)-3-oxopropanethioamide
C17H21N3O2S (331.13544060000004)
O1-[(3,5-Dimethylisoxazol-4-yl)carbonyl]-2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanehydroximamide
Tributyltin chloride; Tri-n-butylchlorotin; Tributylchlorostannane
Zinolol
A monosaccharide derivative that is 1,4-dihydroxybenzene substituted by a (methylamino)methyl group at position 6 and a beta-D-glucopyranosyloxy residue at position 2. Isolated from Anagallis monelli, it exhibits antimutagenic and antioxidant activities.
(1R,2S,4aR,10bR)-10b-hydroxyhippeastrine|pancratinine A
Haploperine;Haploperin; Haplophytin B; Haplophytine B; NSC 94653
5alpha,11-dihydroxy-9,10-methanediyldioxy-1-methyl-lycoran-4(12)-en-7-one|Nor-Neronin|norneronine|O-demethyl-neronine
1,6-dihydroxy-2,3,5-trimethoxy-10-methyl-9-acridone|1,6-Dihydroxy-2,3,5-trimethoxy-10-methylacridone
6-methoxy-7-(2-methoxy-3-methyl-but-3-enyl)-9-methyl-9H-[1,3]dioxolo[4,5-h]quinolin-8-one|Me ether -Ptelefolidine|O-methyl-ptelefolidine|Ptelefolidinmethylether
4,8-dimethoxy-5-methyl-7-(3-methyl-but-2-enyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one|Ptelecortin|Ptelecortine
13-Methyl-2-methoxy-7,8-dihydroindolo[2,3:3,4]pyrido[2,1-b]quinazoline-5(13H)-one
1-(4,8-dimethoxy-furo[2,3-b]quinolin-7-yloxy)-3-methyl-butan-2-ol|dihydro-evodine|dihydro-evoxoidine|Dihydroevoxoidin|evodine
10-Methoxy-14-methyl-5-oxo-5,7,8,14-tetrahydro-indolo-[2,3-c]-quinazo-[3,2,a]-pyridine
n-aminooxymethylcarbonylhydrazino-d-biotin
C12H21N5O4S (331.1314186000001)
MY-5445
C20H14ClN3 (331.08761940000005)
MY-5445 is a specific inhibitor of the cyclic GMP phosphodiesterase, phosphodiesterase type 5 (PDE5), with a Ki of 1.3 μM. MY-5445 inhibits human platelet aggregation. MY-5445 is a selective modulator of ATP-binding cassette (ABC) transporter ABCG2, with anti-proliferative effect[1][2].
ciprofloxacin
C17H18FN3O3 (331.13321300000007)
A quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors S - Sensory organs > S03 - Ophthalmological and otological preparations > S03A - Antiinfectives > S03AA - Antiinfectives D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AE - Fluoroquinolones D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent S - Sensory organs > S02 - Otologicals > S02A - Antiinfectives > S02AA - Antiinfectives C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic CONFIDENCE standard compound; INTERNAL_ID 1026 Ciprofloxacin (Bay-09867) is a potent, orally active topoisomerase IV inhibitor. Ciprofloxacin induces mitochondrial DNA and nuclear DNA damage and lead to mitochondrial dysfunction, ROS production. Ciprofloxacin has anti-proliferative activity and induces apoptosis. Ciprofloxacin is a fluoroquinolone antibiotic, exhibiting potent antibacterial activity[1][2][3][4]. Ciprofloxacin (Bay-09867) is a potent, orally active topoisomerase IV inhibitor. Ciprofloxacin induces mitochondrial DNA and nuclear DNA damage and lead to mitochondrial dysfunction, ROS production. Ciprofloxacin has anti-proliferative activity and induces apoptosis. Ciprofloxacin is a fluoroquinolone antibiotic, exhibiting potent antibacterial activity[1][2][3][4].
Alitame
C14H25N3O4S (331.15656900000005)
CONFIDENCE standard compound; INTERNAL_ID 5808
C18H21NO5_Tazettine
Nizatidine
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents
Tazettine
Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Amaryllidaceae alkaloids
Ala Ala Gly Asn
C12H21N5O6 (331.14917660000003)
Ala Ala Asn Gly
C12H21N5O6 (331.14917660000003)
Ala Gly Ala Asn
C12H21N5O6 (331.14917660000003)
Ala Gly Gly Gln
C12H21N5O6 (331.14917660000003)
Ala Gly Asn Ala
C12H21N5O6 (331.14917660000003)
Ala Gly Gln Gly
C12H21N5O6 (331.14917660000003)
Ala Asn Ala Gly
C12H21N5O6 (331.14917660000003)
Ala Asn Gly Ala
C12H21N5O6 (331.14917660000003)
Ala Gln Gly Gly
C12H21N5O6 (331.14917660000003)
Gly Ala Ala Asn
C12H21N5O6 (331.14917660000003)
Gly Ala Gly Gln
C12H21N5O6 (331.14917660000003)
Gly Ala Asn Ala
C12H21N5O6 (331.14917660000003)
Gly Ala Gln Gly
C12H21N5O6 (331.14917660000003)
Gly Gly Ala Gln
C12H21N5O6 (331.14917660000003)
Gly Gly Gln Ala
C12H21N5O6 (331.14917660000003)
Gly Asn Ala Ala
C12H21N5O6 (331.14917660000003)
Gly Gln Ala Gly
C12H21N5O6 (331.14917660000003)
Gly Gln Gly Ala
C12H21N5O6 (331.14917660000003)
4-(4-Fluorophenyl)-3-(4-methoxy-3-hydroxyphenoxymethyl)piperidine
Asn Ala Ala Gly
C12H21N5O6 (331.14917660000003)
Asn Ala Gly Ala
C12H21N5O6 (331.14917660000003)
Asn Gly Ala Ala
C12H21N5O6 (331.14917660000003)
Gln Ala Gly Gly
C12H21N5O6 (331.14917660000003)
Gln Gly Ala Gly
C12H21N5O6 (331.14917660000003)
Gln Gly Gly Ala
C12H21N5O6 (331.14917660000003)
Aldehyde Reactive Probe
C12H21N5O4S (331.1314186000001)
R-95913
C18H18FNO2S (331.10422200000005)
5-O-Desmethyl omeprazole
C16H17N3O3S (331.09905720000006)
2,3,4,5-Tetrahydro-1,5-methano-1H-3-benzazepine
C18H21NO3S (331.12420760000003)
N-benzyl-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
3-[3-acetyl-4-hydroxy-5-oxo-2-(4-propan-2-ylphenyl)-2H-pyrrol-1-yl]propanoic acid
7-chloro-4-(4-methylpiperazin-1-yl)-10H-thieno[3,2-c][1]benzazepine
C17H18ClN3S (331.09098980000005)
Flazalone
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
4-[(3-acetoxypropyl)amino]-2,2-dimethyl-4-oxobutane-1,3-diyl diacetate
Esmolol hydrochloride
C16H26ClNO4 (331.15502660000004)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists Esmolol hydrochloride is a beta adrenergic receptor blocker.
Dibenzepin hydrochloride
C18H22ClN3O (331.14513120000004)
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents
4-[2-[[(4-Methylphenyl)sulfonyl]oxy]ethyl]-1,3-dihydro-2H-indole-2-one
C17H17NO4S (331.08782420000006)
N-Benzoyl-L-argininamide hydrochloride monohydrate
C13H22ClN5O3 (331.14110919999996)
4-(4-benzylpiperidin-1-yl)quinazoline-6-carbaldehyde
(R)-1-Benzyl-3-[(p-tolylsulfonyl)oxy]pyrrolidine
C18H21NO3S (331.12420760000003)
4-(ISOCYANO(TOSYL)METHYL)-1,2-DIMETHOXYBENZENE
C17H17NO4S (331.08782420000006)
Uracil,6-amino-5-[2-(benzylmethylamino)acetamido]-1,3-dimethyl- (6CI)
C16H21N5O3 (331.16443160000006)
Dothiepin HCl
C19H22ClNS (331.1161402000001)
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators
2-AMINO-BENZOIC ACID 2-BIPHENYL-4-YL-2-OXO-ETHYL ESTER
2-(2-METHOXY-PHENYL)-6-(4-METHOXY-PHENYL)-PYRAZOLO[1,5-A]PYRIMIDINE
2-(3-METHOXY-PHENYL)-6-(4-METHOXY-PHENYL)-PYRAZOLO[1,5-A]PYRIMIDINE
SB 202190
D004791 - Enzyme Inhibitors
6-(3-ACETYL-4-HYDROXY-5-OXO-2-PHENYL-2,5-DIHYDRO-1H-PYRROL-1-YL)HEXANOIC ACID
3-DIMETHYLAMINO-2-[1-(4-METHOXY-BENZYL)-1H-TETRAZOL-5-YL]-ACRYLIC ACID ETHYL ESTER
C16H21N5O3 (331.16443160000006)
5-(2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl)-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one
C18H18FNO2S (331.10422200000005)
2-(TETRAHYDRO-FURAN-2-YL)-N-(3-TRIFLUOROMETHYL-PHENYL)-SUCCINAMIC ACID
C15H16F3NO4 (331.10313720000005)
2-(2-FLUOROACETAMIDO)-5-NITRO-N-(O-TOLYL)BENZAMIDE
C16H14FN3O4 (331.09682960000004)
Protokylol
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
1-Benzyl-4-(piperidin-4-yl)piperazine dihydrochloride
C16H27Cl2N3 (331.15819220000003)
[4-(4-chloro-phenyl)-piperazin-1-yl]-pyridin-3-yl-acetic acid
3-DIMETHYLAMINO-2-[2-(4-METHOXY-BENZYL)-2H-TETRAZOL-5-YL]-ACRYLIC ACID ETHYL ESTER
C16H21N5O3 (331.16443160000006)
1-(4-TOLUENENSULFONYLAMINO)-2,6-DIISOPROPYLBENZENE
5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3,4,6,7-tetrahydrothieno[3,2-c]pyridin-2-one
C18H18FNO2S (331.10422200000005)
TERT-BUTYL(R)-(+)-4-FORMYL-2,2-DIMETHYL-3-OXAZOLIDINECARBOXYLATE
C16H20F3NO3 (331.1395206000001)
4-chloro-7-methoxy-5-[(1-methyl-4-piperidyl)oxy]quinoline-3-carbo nitrile
(S)-1-Benzyl-3-[(p-tolylsulfonyl)oxy]pyrrolidine
C18H21NO3S (331.12420760000003)
PROPIONYLCHOLINE P-TOLUENESULFONATE
C15H25NO5S (331.14533600000004)
Benzenemethanamine,N-[bis(4-methoxyphenyl)methylene]-
norfluoxetine hydrochloride
C16H17ClF3NO (331.09506980000003)
Norfluoxetine hydrochloride is an active N-demethylated metabolite of Fluoxetine. Fluoxetine is a selective serotonin (5-HT) reuptake inhibitor that is metabolized to Norfluoxetine hydrochloride by cytochrome P450 (CYP) 2D6, CYP2C19, and CYP3A4. Norfluoxetine hydrochloride inhibits 5-HT uptake and inhibits CaV3.3 T current (IC50 = 5 μM). Norfluoxetine hydrochloride has anticonvulsant activity[1][2][3][4].
1-Benzyl-7-phenyl-1H-pyrimido[4,5-d][1,3]oxazine-2,4-dione
C19H13N3O3 (331.09568680000007)
(1.ALPHA.,3A.ALPHA.,6A.ALPHA.)-HEXAHYDRO-4-OXO-CYCLOPENTA[C]PYRROLE-1,2(1H)-DICARBOXYLIC ACID-1-ETHYL2-(PHENYLMETHYL) ESTER
tert-butyl 4-(2,6-dichloropyridin-4-yl)piperazine-1-carboxylate
1-Benzhydryl-3-methanesulfonyloxy-3-methylazetidine
C18H21NO3S (331.12420760000003)
azanium,1,2-bis(ethenyl)benzene,2-ethenylbenzenesulfonate
C18H21NO3S (331.12420760000003)
dimethyl 4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
4-Nitro-N-[2-(4-nitrophenoxy)ethyl]benzeneethanamine
1-ethenyl-3-methylimidazol-3-ium,1-ethenylpyrrolidin-2-one,methyl sulfate
N-cyclopentyl-2-methyl-5-(4-methylsulfonylphenyl)pyrimidin-4-amine
C17H21N3O2S (331.13544060000004)
(2Z)-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-[(4S)-4-phenyl-1,3-oxazolidin-2-ylidene]acetonitrile
2-METHYL-5-PHENYL-3-(3-SULFOPROPYL)BENZOXAZOLIUM HYDROXIDE, INNER SALT
C17H17NO4S (331.08782420000006)
4-{5-[(2-Chloroethyl)amino]-1-methyl-1H-benzimidazol-2-yl}butanoic acid hydrochloride (1:1)
S-BENZYL-L-CYSTEINE-4-NITROANILINE
C16H17N3O3S (331.09905720000006)
Anastrozole IMpurity (alfa1 , alfa1, alfa3, alfa3-TetraMethyl-5-(1H-1,2,4-triazol-1-ylMethyl)-1,3-Benzenediacetic acid)
C17H21N3O4 (331.15319860000005)
(Z)-N-[(5-Chloro-2-hydroxyphenyl)(phenyl)methylene]-L-valine
2-Isopropoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine
C15H21BF3NO3 (331.15665020000006)
(R)-8-(Diphenylphosphino)-1,2,3,4-tetrahydronaphthalen-1-amine
[4-(4-chloro-phenyl)-piperazin-1-yl]-pyridin-4-yl-acetic acid
(R)-3-PHENYL-3-(4-TRIFLUOROMETHYL-PHENOXY)-PROPYLAMINE HYDROCHLORIDE
C16H17ClF3NO (331.09506980000003)
diethyl 2-[[4-(trifluoromethyl)anilino]methylidene]propanedioate
C15H16F3NO4 (331.10313720000005)
Aminodi(ethyloxy)ethylaminocarbonylbenzenesulfonamide
2-[(5,6-Diphenylfuro[2,3-D]pyrimidin-4-YL)amino]ethanol
(S)-2-Amino-3-benzylthio-N-(4-nitrophenyl)propionamide
C16H17N3O3S (331.09905720000006)
2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-cyclopropylacetamide
C17H21N3O2S (331.13544060000004)
Carbamimidothioic acid 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl ester
C16H17N3O3S (331.09905720000006)
4-amino-6,7-diphenyl-2(1H)-pteridinethione
C18H13N5S (331.08916180000006)
5-[1-[(4-Methylphenyl)methyl]-3-pyrazolyl]-2-phenylthiazole
C20H17N3S (331.11431220000003)
3-phenyl-4-[[4-(trifluoromethyl)anilino]methylidene]-1H-pyrazol-5-one
3,6-Diamino-9-(2-carboxyphenyl)xanthenium
C20H15N2O3+ (331.10826199999997)
2-Hydroxy-5-[4-(2-hydroxy-ethyl)-piperidin-1-YL]-5-phenyl-1H-pyrimidine-4,6-dione
C17H21N3O4 (331.15319860000005)
2-[(Phenylsulfonyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
C17H17NO4S (331.08782420000006)
N-1H-imidazol-2-yl-N-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine
(5-Phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol
6-([5-Quinolylamino]methyl)-2,4-diamino-5-methylpyrido[2,3-D]pyrimidine
5'-O-beta-D-Glucosylpyridoxine
1-Cyclopropyl-6-fluoro-4-oxo-7-piperazin-4-ium-1-ylquinoline-3-carboxylate
C17H18FN3O3 (331.13321300000007)
D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones
(1R,2R,5S,8S,9S,10R,11S)-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylate
(1R,2R,5R,8R,9S,10R,11S,13R)-13-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylate
(1R,2R,5R,8R,9S,10R,11R,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylate
4-{[(2R,3R,4S,5R)-5-acetamido-4,6-dihydroxy-2-methyloxan-3-yl]carbamoyl}-2-oxobutanoate
(-)-trans-4-[4-(4-Fluorophenyl)-3-piperidinylmethoxy]-2-methoxyphenol(Paroxetine metabolite)
6-[[5-Hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxymethyl]oxane-2,3,4,5-tetrol
Sekisanolin
Prothiaden
C19H22ClNS (331.1161402000001)
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators
Acetic acid [2-[[(6,6-dimethoxy-3-oxo-1-cyclohexa-1,4-dienyl)amino]-oxomethyl]phenyl] ester
2-[(Z)-(2-oxo-1-propan-2-ylindol-3-ylidene)methyl]-1H-quinazolin-4-one
N-(1-ethyl-6-methyl-3-pyrazolo[3,4-b]quinolinyl)-4-pyridinecarboxamide
gibberellin A4(1-)
A gibberellin carboxylic acid anion that is the conjugate base of gibberellin A4, obtained by deprotonation of the carboxy group.
(15R)-9,15-Dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-18-ol
2-(3,5-Dimethyl-1-pyrazolyl)-4-(4-morpholinyl)-5-pyrimidinecarboxylic acid ethyl ester
C16H21N5O3 (331.16443160000006)
2-[1-[2-(1-Benzothiophen-5-ylamino)-2-oxoethyl]cyclohexyl]acetic acid
C18H21NO3S (331.12420760000003)
10-Piperidin-1-yl-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione
2-[(6-ethyl-4-methylquinazolin-2-yl)amino]quinazolin-4(1H)-one
N-{2-[(4-methylphenyl)carbamoyl]phenyl}pyridine-3-carboxamide
1-[4-(4-Ethoxyphenyl)-2-thiazolyl]-4-piperidinecarboxamide
C17H21N3O2S (331.13544060000004)
1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-3,4-dihydro-2H-azepin-7-one
1-Tert-butyl-5-[(4-ethoxyanilino)methylidene]-1,3-diazinane-2,4,6-trione
C17H21N3O4 (331.15319860000005)
N-[1-[(4-methylphenyl)methyl]-2-benzimidazolyl]-2-furancarboxamide
2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]acetic acid propan-2-yl ester
C17H21N3O2S (331.13544060000004)
6-(3-methylphenyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine
C20H17N3S (331.11431220000003)
1,7,7-trimethyl-N-(4-nitrophenyl)-2-oxo-4-bicyclo[2.2.1]heptanecarbohydrazide
C17H21N3O4 (331.15319860000005)
1-[2-(4-chlorophenyl)ethyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
C19H22ClNO2 (331.13389820000003)
N-{4-[N-(phenylsulfonyl)ethanehydrazonoyl]phenyl}acetamide
C16H17N3O3S (331.09905720000006)
5-[(3-Methylphenoxy)methyl]-3-[4-(1-pyrrolyl)phenyl]-1,2,4-oxadiazole
5-[[2-Methoxy-4-(4-morpholinyl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
N-(3-bicyclo[2.2.1]heptanyl)-2-[5-(4-chlorophenyl)-2-tetrazolyl]acetamide
4-[5-(3-Hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl)-2-furanyl]benzonitrile
C19H13N3O3 (331.09568680000007)
2-[(2Z)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazole-4-carbohydrazide
2-[[(4-Tert-butylphenyl)-oxomethyl]amino]-4-chlorobenzoic acid
7-ethoxy-3-(2-methoxyethyl)-N-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
C17H21N3O2S (331.13544060000004)
1-(4-Chlorophenyl)-3-(4-morpholinyl)-2-phenyl-1-propanol
C19H22ClNO2 (331.13389820000003)
Methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate hydrochloride
C16H26ClNO4 (331.15502660000004)
1-[[4-[(E)-hydroxyiminomethyl]-2-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-carboxamide
2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid propyl ester
C18H21NO3S (331.12420760000003)
4-[(5Z)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]butanoic acid
C17H17NO4S (331.08782420000006)
2,5-Dihydroxy-4-(2-hydroxyphenyl)-5-(methylamino)-3-phenylpentanoic acid
N(2)-[4-(indol-3-yl)butanoyl]-L-glutamine
C17H21N3O4 (331.15319860000005)
3,4-Bis(methoxycarbonyl)-2-trimethylsilyl-5-phenylpyrrole
1-(Chloromethyl(para-tolyl)silyl)-2-(methyl(para-tolyl)silyl)ethane
Didesethylflurazepam
A primary amino compound resulting from the dealkylation of both ethyl groups of the anti-insomnia drug flurazepam. It is the major metabolite of flurazepam.
1-cyclopropyl-2-(2-fluorophenyl)-2-{2-hydroxy-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-one
C18H18FNO2S (331.10422200000005)
BRL-44408 (maleate)
C17H21N3O4 (331.15319860000005)
BRL-44408 maleate is an α2A-adrenoceptor antagonist (Ki: 8.5 nM). BRL-44408 maleate has antidepressant and analgesic activity. BRL-44408 also improves cecal ligation puncture (CLP)-induced acute lung injury[1][2].
GAC0001E5
GAC0001E5 is an LXR inverse agonist. GAC0001E5 has antiproliferative activity and can be used in cancer research[1].
Sirtuin-1 inhibitor 1
Sirtuin-1 inhibitor 1 (Compound 8) is an inhibitor of Sirtuin-1 that plays important roles in obesity-induced diabetes and aging-related diseases[1].
SW157765
C19H13N3O3 (331.09568680000007)
SW157765 is a selective non-canonical glucose transporter GLUT8 (SLC2A8) inhibitor. KRAS/KEAP1 double mutant NSCLC cells are selectively sensitive to the SW157765, due to the convergent consequences of dual KRAS and NRF2 modulation of metabolic and xenobiotic gene regulatory programs[1][2].
(1s,13s,16r,18s)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraen-13-ol
2,6-dimethyl-8-(1,4,6-trihydroxy-3h-isoindol-5-yl)octa-2,6-dienoic acid
(2z,4z)-n-[2-(acetyloxy)-2-methylpropyl]-5-(2h-1,3-benzodioxol-5-yl)penta-2,4-dienimidic acid
(1s,13s,15r,19r)-19-hydroxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-trien-15-yl acetate
9,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-18-ol
11-hydroxy-8-(1h-indol-3-yl)-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),4,10,12-tetraen-2-one
(11s,12s,15s)-13-methoxy-5,7,21-trioxa-19-azahexacyclo[11.7.1.0²,¹⁰.0⁴,⁸.0¹¹,¹⁵.0¹⁵,¹⁹]henicosa-2,4(8),9-trien-12-ol
5-hydroxy-4,11-dimethoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5,12-tetraen-8-one
1-chloro-n-[(1e,6r,10r)-6,10-dihydroxy-11-methyl-3,7-dimethylidenedodeca-1,11-dien-1-yl]methanecarbonimidoyl chloride
10,11,12,13-tetrahydroxy-11-(hydroxymethyl)-6-imino-3-oxa-5,7-diazatetracyclo[7.4.0.0¹,⁴.0⁴,⁸]tridecane-2-carboxylic acid
(1s,11s,13s,15s,18s)-11,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-18-ol
(1r,13r,15r,18s)-9,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-18-ol
1,6-dihydroxy-2,3,5-trimethoxy-10-methylacridin-9-one
11-hydroxycephalotaxine
{"Ingredient_id": "HBIN000440","Ingredient_name": "11-hydroxycephalotaxine","Alias": "NA","Ingredient_formula": "C18H21NO5","Ingredient_Smile": "COC1=CC23CCCN2CC(C4=CC5=C(C=C4C3C1O)OCO5)O","Ingredient_weight": "331.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9900","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "285343","DrugBank_id": "NA"}
(1s,11r,12r,13s,15r)-13-methoxy-5,7,21-trioxa-19-azahexacyclo[11.7.1.0²,¹⁰.0⁴,⁸.0¹¹,¹⁵.0¹⁵,¹⁹]henicosa-2,4(8),9-trien-12-ol
(2s,3s,6s)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraene-2,3-diol
1,3-dihydroxy-2,5,6-trimethoxy-10-methylacridin-9-one
(2r)-3-methyl-1-{4,12,14-trioxa-2-azatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1(16),2,5,7,9,11(15)-hexaen-8-yloxy}butane-2,3-diol
(1s,13r,15r)-19-hydroxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-trien-15-yl acetate
1-chloro-n-[(1e)-6,10-dihydroxy-11-methyl-3,7-dimethylidenedodeca-1,11-dien-1-yl]methanecarbonimidoyl chloride
(1s,14s,15s,16s)-5,14-dihydroxy-4-methoxy-9-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2(7),3,5,12-tetraen-15-yl acetate
5,14-dihydroxy-4-methoxy-9-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2(7),3,5,12-tetraen-15-yl acetate
(2z,6s)-2-[1-amino-3-(4-hydroxyphenyl)propylidene]-6-hydroxy-5-methoxy-4,6-dimethylcyclohex-4-ene-1,3-dione
11-hydroxy-4,5-dimethoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5,12-tetraen-8-one
6-methoxy-7-(2-methoxy-3-methylbut-3-en-1-yl)-9-methyl-2h-[1,3]dioxolo[4,5-h]quinolin-8-one
(2s,3s,6s)-3-hydroxy-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-10-ium-10-olate
(9s)-7,9-dimethoxy-13-methyl-10-azapentacyclo[9.7.1.0²,¹⁰.0³,⁸.0¹⁵,¹⁹]nonadeca-1,3(8),4,6,11,13,15(19),16-octaen-18-one
(1r,11s,12s,13r,15s)-13-methoxy-5,7,21-trioxa-19-azahexacyclo[11.7.1.0²,¹⁰.0⁴,⁸.0¹¹,¹⁵.0¹⁵,¹⁹]henicosa-2,4(8),9-trien-12-ol
(2s,3s,6r,12r)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraene-3,12-diol
19-[(1s)-1-hydroxyethyl]-3,13,17-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
(1s,10s,11s,17s)-11-hydroxy-4,5-dimethoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5,12-tetraen-8-one
(1r,11s,13r,15r,18r)-11,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-18-ol
7-methoxy-21-methyl-3,13,21-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1,3,5,7,9,15,17,19-octaen-14-one
4-[(6-hydroxyphenazin-1-yl)amino]benzoic acid
C19H13N3O3 (331.09568680000007)
2-{2,5-dihydroxy-3-[(methylamino)methyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(6s)-2-[1-amino-3-(4-hydroxyphenyl)propylidene]-6-hydroxy-5-methoxy-4,6-dimethylcyclohex-4-ene-1,3-dione
(1r,15r,18r,19r)-19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,16-tetraene-15,18-diol
(2e,6e)-2,6-dimethyl-8-(1,4,6-trihydroxy-3h-isoindol-5-yl)octa-2,6-dienoic acid
(5r,8r,9s)-2-benzyl-8-[(2s)-butan-2-yl]-6,8,9-trihydroxy-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
(12s,13r,18s)-8,12-dihydroxy-4,15-dimethyl-3,11-dioxa-15-azatetracyclo[8.8.0.0²,⁷.0¹³,¹⁸]octadeca-1,4,7,9-tetraene-6,14-dione
1-chloro-n-(6,10-dihydroxy-11-methyl-3,7-dimethylidenedodeca-1,11-dien-1-yl)methanecarbonimidoyl chloride
(1s,11r,13s,15r,18s)-11,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-18-ol
18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraen-11-ol
4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraene-2,3-diol
(2e,4e)-5-(2h-1,3-benzodioxol-5-yl)-n-(3-methoxy-2,2-dimethyl-3-oxopropyl)penta-2,4-dienimidic acid
n-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-5-methoxybenzenecarboximidic acid
(1r,13r,16s,18r)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraen-13-ol
(2s,3s,6r,10s)-3-hydroxy-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-10-ium-10-olate
7-[(4-hydroxy-3-nitrophenyl)methyl]-1,3-dimethylpurine-2,6-dione
C14H13N5O5 (331.09166480000005)
11,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-18-ol
6-methoxy-7-[(2s)-2-methoxy-3-methylbut-3-en-1-yl]-9-methyl-2h-[1,3]dioxolo[4,5-h]quinolin-8-one
methyl 3-[5-(2h-1,3-benzodioxol-5-yl)penta-2,4-dienamido]-2,2-dimethylpropanoate
(1r,13r,16r,18s)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraen-16-ol
(2r)-1-({4,8-dimethoxyfuro[2,3-b]quinolin-7-yl}oxy)-3-methylbutan-2-ol
7,9-dimethoxy-13-methyl-10-azapentacyclo[9.7.1.0²,¹⁰.0³,⁸.0¹⁵,¹⁹]nonadeca-1,3(8),4,6,11,13,15(19),16-octaen-18-one
(3r,6r)-3-(1h-indol-3-ylmethyl)-6-isopropyl-6-methoxypyrazine-2,3,5-triol
C17H21N3O4 (331.15319860000005)
3-methoxy-4,4'-dimethyl-10'-azaspiro[furan-2,2'-tricyclo[8.3.0.0¹,⁵]tridecan]-4'-ene-3',5,11'-trione
9,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2(10),3,8,16-tetraen-11-ol
(2s,3s,6s,10s)-3-hydroxy-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-10-ium-10-olate
(1s,13r,16s,18s)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraen-13-ol
19-(1-hydroxyethyl)-3,13,17-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
(1r,8s,10s,11r)-3,11-dihydroxy-4-methoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.1⁸,¹¹.0¹,¹⁰.0²,⁷]octadeca-2,4,6-trien-12-one
(1r,13r,16r,18s)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraen-13-ol
8,12-dihydroxy-4,15-dimethyl-3,11-dioxa-15-azatetracyclo[8.8.0.0²,⁷.0¹³,¹⁸]octadeca-1,4,7,9-tetraene-6,14-dione
(1s,13s,16s,18r)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraen-13-ol
18,20-dioxa-3,13,24-triazahexacyclo[11.11.0.0²,¹⁰.0⁴,⁹.0¹⁵,²³.0¹⁷,²¹]tetracosa-1(24),2(10),4,6,8,15,17(21),22-octaen-14-one
C19H13N3O3 (331.09568680000007)
(2s,4s,5s)-5-chloro-1-(2,4-dihydroxy-5,6-dimethoxypyridin-3-yl)-2,4-dimethylhexan-1-one
5,9,9,17-tetramethyl-4,8,17-triazapentacyclo[10.6.1.0²,¹⁰.0³,⁸.0¹⁶,¹⁹]nonadeca-1,3,5,10,12,14,16(19)-heptaene-7,18-dione
(2e,4z)-n-[2-(acetyloxy)-2-methylpropyl]-5-(2h-1,3-benzodioxol-5-yl)penta-2,4-dienimidic acid
(1r,13s,15r,18r)-9,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-18-ol
1-[5-(2h-1,3-benzodioxol-5-yl)penta-2,4-dienamido]-2-methylpropan-2-yl acetate
1-chloro-n-[(1e,6s,10r)-6,10-dihydroxy-11-methyl-3,7-dimethylidenedodeca-1,11-dien-1-yl]methanecarbonimidoyl chloride
6-hydroxy-5,10-dimethyl-5,10,19-triazapentacyclo[10.7.1.0²,⁷.0⁹,²⁰.0¹³,¹⁸]icosa-1,3,6,9(20),12,14,16,18-octaene-8,11-dione
C19H13N3O3 (331.09568680000007)
(1s,11s,13r,16s,18s)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraen-11-ol
1,6-dihydroxy-3,4,5-trimethoxy-10-methylacridin-9-one
(1r,13r,15s,18s)-9,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-18-ol
(1s,13r,16s,17s)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-trien-16-yl acetate
2-benzyl-6,8,9-trihydroxy-8-(2-methylpropyl)-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
2-[(4-chlorophenyl)methyl]-6,7-dimethoxy-1-methyl-3,4-dihydro-1h-isoquinoline
C19H22ClNO2 (331.13389820000003)
18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraen-16-ol
(2s,3s,9s,10s,12s)-12-methoxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.0²,¹⁰.0³,⁷.0¹⁵,¹⁹]icosa-1(20),7,13,15(19)-tetraen-9-ol
(1s,10s,11s,17s)-5-hydroxy-4,11-dimethoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5,12-tetraen-8-one
(1s,14s,15s,16s)-4,14-dihydroxy-5-methoxy-9-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2(7),3,5,12-tetraen-15-yl acetate
(1's,2r)-3-methoxy-4,4'-dimethyl-10'-azaspiro[furan-2,2'-tricyclo[8.3.0.0¹,⁵]tridecan]-4'-ene-3',5,11'-trione
13-methoxy-5,7,21-trioxa-19-azahexacyclo[11.7.1.0²,¹⁰.0⁴,⁸.0¹¹,¹⁵.0¹⁵,¹⁹]henicosa-2,4(8),9-trien-12-ol
(7s,8s)-11-hydroxy-8-(1h-indol-3-yl)-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),4,10,12-tetraen-2-one
9,15-dimethoxy-5,7,17-trioxa-12-azahexacyclo[10.6.2.0¹,¹³.0²,¹⁰.0⁴,⁸.0¹⁶,¹⁸]icosa-2,4(8),9-triene
(1s,13r,16s,17r)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-trien-16-yl acetate
(1s,11s,13s,15s,18r)-11,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-18-ol
(2s,3s,9s,10s)-9-hydroxy-4-methyl-12-oxo-11,16,18-trioxa-4-azapentacyclo[11.7.0.0²,¹⁰.0³,⁷.0¹⁵,¹⁹]icosa-1(20),7,13,15(19)-tetraen-4-ium-4-olate
(1r,8s,10s,11r)-4,12-dimethoxy-18-oxa-17-azapentacyclo[8.4.3.1⁸,¹¹.0¹,¹⁰.0²,⁷]octadeca-2,4,6,12-tetraene-3,11-diol
4,11-dimethoxy-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,10,16-pentaene-3,12,13-triol
(1r,11r,13s,16s,18s)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraen-11-ol
(2s,3s,6s,12r)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraene-3,12-diol
4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraene-3,12-diol
(2s,3s,6r)-3-hydroxy-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-10-ium-10-olate
12-methoxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.0²,¹⁰.0³,⁷.0¹⁵,¹⁹]icosa-1(20),7,13,15(19)-tetraen-9-ol
(2s,3s,6r,10r)-3-hydroxy-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-10-ium-10-olate
(3s,6s,12r)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraene-3,12-diol
4,8-dimethoxy-5-methyl-7-(3-methylbut-2-en-1-yl)-2h-[1,3]dioxolo[4,5-g]quinolin-6-one
(2e,4e)-n-[2-(acetyloxy)-2-methylpropyl]-5-(2h-1,3-benzodioxol-5-yl)penta-2,4-dienimidic acid
(1s,9s,12s,13s)-4,11-dimethoxy-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,10,16-pentaene-3,12,13-triol
methyl 7-hydroxy-3-methoxy-1-methyl-8-(3-methylbut-2-en-1-yl)-4-oxoquinoline-2-carboxylate
19-[(1r)-1-hydroxyethyl]-3,13,17-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
2,9-dihydroxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.0²,¹⁰.0³,⁷.0¹⁵,¹⁹]icosa-1(20),7,13,15(19)-tetraen-12-one
(2r,3r,9s,10r)-2,9-dihydroxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.0²,¹⁰.0³,⁷.0¹⁵,¹⁹]icosa-1(20),7,13,15(19)-tetraen-12-one
1-({4,8-dimethoxyfuro[2,3-b]quinolin-7-yl}oxy)-3-methylbutan-2-ol
3,11-dihydroxy-4-methoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.1⁸,¹¹.0¹,¹⁰.0²,⁷]octadeca-2,4,6-trien-12-one
3-(1h-indol-3-ylmethyl)-6-isopropyl-6-methoxypyrazine-2,3,5-triol
C17H21N3O4 (331.15319860000005)