Exact Mass: 291.17668
Exact Mass Matches: 291.17668
Found 446 metabolites which its exact mass value is equals to given mass value 291.17668,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Penbutolol
Penbutolol is only found in individuals that have used or taken this drug. It is a medication in the class of beta blockers, used in the treatment of high blood pressure. [Wikipedia]Penbutolol competes with adrenergic neurotransmitters such as catecholamines for binding at beta(1)-adrenergic receptors in the heart and vascular smooth muscle and beta(2)-receptors in the bronchial and vascular smooth muscle. Beta(1)-receptor blockade results in a decrease in resting and exercise heart rate and cardiac output, a decrease in both systolic and diastolic blood pressure, and, possibly, a reduction in reflex orthostatic hypotension. C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
Terbinafine
Terbinafine hydrochloride (Lamisil) is a synthetic allylamine antifungal. It is highly lipophilic in nature and tends to accumulate in skin, nails, and fatty tissues. Like other allylamines, terbinafine inhibits ergosterol synthesis by inhibiting the fungal squalene monooxygenase (squalene 2,3-epoxidase), an enzyme that is part of the fungal cell wall synthesis pathway. D - Dermatologicals > D01 - Antifungals for dermatological use > D01B - Antifungals for systemic use > D01BA - Antifungals for systemic use D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent CONFIDENCE standard compound; INTERNAL_ID 2712 CONFIDENCE standard compound; INTERNAL_ID 8609 D004791 - Enzyme Inhibitors Terbinafine (TDT 067) is an orally active and potent antifungal agent. Terbinafine is a potent non-competitive inhibitor of squalene epoxidase from Candida, with a Ki of 30 nM. Terbinafine also shows antibacterial activity against certain Gram-positive and Gram-negative bacteria[1][2][3]. Terbinafine is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
Bunolol
C17H25NO3 (291.18343400000003)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
S-(2-Methylbutanoyl)-dihydrolipoamide
C13H25NO2S2 (291.13266300000004)
S-(2-Methylbutanoyl)-dihydrolipoamide-E is an intermediate in isoleucine degradation. S-(2-Methylbutanoyl)-dihydrolipoamide is normally conjugated to a lysine residue of the methylpropanoyltransferase enzyme (E stands for enzyme). The structure shown here is the free form. Specifically S-(2-Methylbutanoyl)-dihydrolipoamide-E is the 2-methylbutanoyl thioester of the reduced lipoyllysine residue in dihydrolipoyllysine-residue (2-methylpropanoyl)transferase. [HMDB] S-(2-Methylbutanoyl)-dihydrolipoamide-E is an intermediate in isoleucine degradation. S-(2-Methylbutanoyl)-dihydrolipoamide is normally conjugated to a lysine residue of the methylpropanoyltransferase enzyme (E stands for enzyme). The structure shown here is the free form. Specifically S-(2-Methylbutanoyl)-dihydrolipoamide-E is the 2-methylbutanoyl thioester of the reduced lipoyllysine residue in dihydrolipoyllysine-residue (2-methylpropanoyl)transferase.
S-(3-Methylbutanoyl)-dihydrolipoamide-E
C13H25NO2S2 (291.13266300000004)
S-(3-Methylbutanoyl)-dihydrolipoamide-E is an intermediate in valine, leucine and isoleucine degradation(KEGG ID C15975 ). It is the second to last step in the synthesis of branched chain fatty acid and is converted from 3-methyl-hydroxybutyl-ThPP via the enzyme 2-oxoisovalerate dehydrogenase [EC:1.2.4.4]. It is then converted to 3-methylbutanoyl-CoA via the enzyme dihydrolipoyllysine-residue (2-methylpropanoyl)transferase[EC:2.3.1.168]. [HMDB] S-(3-Methylbutanoyl)-dihydrolipoamide-E is an intermediate in valine, leucine and isoleucine degradation(KEGG ID C15975 ). It is the second to last step in the synthesis of branched chain fatty acid and is converted from 3-methyl-hydroxybutyl-ThPP via the enzyme 2-oxoisovalerate dehydrogenase [EC:1.2.4.4]. It is then converted to 3-methylbutanoyl-CoA via the enzyme dihydrolipoyllysine-residue (2-methylpropanoyl)transferase[EC:2.3.1.168].
Cyclopentolate
C17H25NO3 (291.18343400000003)
Cyclopentolate is only found in individuals that have used or taken this drug. It is a parasympatholytic anticholinergic used solely to obtain mydriasis or cycloplegia. [PubChem]By blocking muscarinic receptors, cyclopentolate produces dilatation of the pupil (mydriasis) and prevents the eye from accommodating for near vision (cycloplegia). S - Sensory organs > S01 - Ophthalmologicals > S01F - Mydriatics and cycloplegics > S01FA - Anticholinergics C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics C78283 - Agent Affecting Organs of Special Senses > C29706 - Mydriatic Agent
Eseridine
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
variotin
C17H25NO3 (291.18343400000003)
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AA - Antibiotics C254 - Anti-Infective Agent > C514 - Antifungal Agent Same as: D01458
Levobunolol
C17H25NO3 (291.18343400000003)
Levobunolol is only found in individuals that have used or taken this drug. It is a nonselective beta-adrenoceptor antagonist used in the treatment of glaucoma. [PubChem]Levobunolols mechanism of action in reducing IOP is not clearly defined, but is believed to be due to a reduction of the production of aqueous humor via blockage of endogenous catecholamine-stimulated increases in cyclic adenosine monophosphate (AMP) concentrations within the ciliary processes. S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01ED - Beta blocking agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists C78283 - Agent Affecting Organs of Special Senses > C29705 - Anti-glaucoma Agent
Benzhydramine HCl
C17H21NO.HCl (291.13898320000004)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D018926 - Anti-Allergic Agents Diphenhydramine hydrochloride is a first-generation histamine H1-receptor antagonist with anti-cholinergic effect. Diphenhydramine hydrochloride can across the ovine blood-brain barrier (BBB)[1][2].
(S)-Edulinine
(S)-Edulinine is found in pomes. (S)-Edulinine is an alkaloid from the bark of Casimiroa edulis (Mexican apple
Norcapsaicin
C17H25NO3 (291.18343400000003)
Isolated from the pungent principle of red pepper (Capsicum annuum). Norcapsaicin is found in many foods, some of which are herbs and spices, italian sweet red pepper, orange bell pepper, and red bell pepper. Norcapsaicin is found in herbs and spices. Norcapsaicin is isolated from the pungent principle of red pepper (Capsicum annuum
Desethylchloroquine
Desethylchloroquine is the major product of the stereoselective human metabolism of Chloroquine, used for the therapy and prevention of malaria.
2-hydroxy-3-methylbutanedioylcarnitine
C12H21NO7 (291.13179560000003)
2-hydroxy-3-methylbutanedioylcarnitine is an acylcarnitine. More specifically, it is an 2-hydroxy-3-methylbutanedioic 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. 2-hydroxy-3-methylbutanedioylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine 2-hydroxy-3-methylbutanedioylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). 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].
(3R)-3,5-dihydroxy-3-methylpentanoylcarnitine
(3R)-3,5-dihydroxy-3-methylpentanoylcarnitine is an acylcarnitine. More specifically, it is an (3R)-3,5-dihydroxy-3-methylpentanoic 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. (3R)-3,5-dihydroxy-3-methylpentanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (3R)-3,5-dihydroxy-3-methylpentanoylcarnitine 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,4S)-1-(Tert-butoxycarbonyl)-4-phenylpyrrolidine-2-carboxylic acid
s-Triazine, 2-amino-4-((4-methyl-1-piperazinyl)methyl)-6-piperidino-
Befunolol
S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01ED - Beta blocking agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists C78283 - Agent Affecting Organs of Special Senses > C29705 - Anti-glaucoma Agent
Exaprolol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
Ketocaine
C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Melitracen
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
Perlapine
N,6,6-Trimethyl-N-(1-naphthalenylmethyl)-1-hept-2-en-4-ynamine
12,13(S)-epoxylinolenate
12,13(s)-epoxylinolenate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 12,13(s)-epoxylinolenate can be found in a number of food items such as rice, wax apple, globe artichoke, and common walnut, which makes 12,13(s)-epoxylinolenate a potential biomarker for the consumption of these food products.
12-oxo-cis-10,15-phytodienoate
12-oxo-cis-10,15-phytodienoate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 12-oxo-cis-10,15-phytodienoate can be found in a number of food items such as ginger, corn, moth bean, and boysenberry, which makes 12-oxo-cis-10,15-phytodienoate a potential biomarker for the consumption of these food products.
LG 50,051
1-(3,4,5-Trimethoxycinnamoyl)pyrrolidine is a natural product found in Piper lolot and Piper sarmentosum with data available.
syn-3-Isopropyl-6-(4-methoxybenzyl)-4-methylmorpholine-2,5-dione
5H-Dibenzo[a,d]cyclohepten-3-ol,5-[3-(dimethylamino)propylidene]-
(2E,4E,8Z,11Z)-2-hydroxy-N-isobutyl-2,4,8,11-tetradecatetraenamide|(2E,4E,8Z,11Z)-N-(2-hydroxy-2-methylpropyl)-2,4,8,11-tetradecatetraenamide|bungeanool|N-(2-methyl-2-hydroxypropyl)tetradeca-(2E,4E,8Z,11Z)-tetraeneamide
4-(3,4-Dimethoxyphenyl)octahydro-2H-quinolizine-2-ol
C17H25NO3 (291.18343400000003)
Di-Me ester,N-tert-butyloxycarbonyl-2-Amino-3-hydroxypentanedioic acid
C12H21NO7 (291.13179560000003)
(Z)-1-pyrrolidin-1-yl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
(7aR)-8c-Aethyl-11c-methyl-(7ar,8ac,11ac,11bt,11cc)-dodecahydro-azepino[3,2,1-hi]furo[3,2-e]indol-2,10-dion|(7aR)-8c-ethyl-11c-methyl-(7ar,8ac,11ac,11bt,11cc)-dodecahydro-azepino[3,2,1-hi]furo[3,2-e]indole-2,10-dione|2-oxo-stenine|2-oxostenine|rel-(7aR,8R,8aS,11S,11aS,11bR,11cR)-8-ethyldodecahydro-11-methylazepino[3,2,1-hi]furo[3,2-e]indole-2,10-dione
C17H25NO3 (291.18343400000003)
(2E,4E,8Z,11Z)-2-Hydroxy-N-isobutyl-2,4,8,11-tetradecatetraenamide
5-Hydroxy-2-methyl-6-(11-oxododecyl)-pyridine|5-hydroxy-2-methyl-6-(11-oxododecyl)pyridine
(Benzoylamino)acetic acid octyl ester
C17H25NO3 (291.18343400000003)
3-isopropyl-6-(4-methoxybenzyl)-4-methylmorpholine-2,5-dione
(-)-sessilifoliamide C|(9R,9aS)-9-((1S)-1-((2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl)propyl)octahydro-3H-pyrrolo[1,2-a]azepin-3-one|sessilifoliamide C
C17H25NO3 (291.18343400000003)
(5RS)-3-methyl-5-[(1SR,2SR,3aRS,10aSR,10bRS)-1-methyldecahydro-2H-furo[3,2-c]pyrrolo[1,2-a]azepin-2-yl]furan-2(5H)-one|neostemocochinine
C17H25NO3 (291.18343400000003)
(-)-(2S)-9-hydroxy-2-phenyl-1,5,9-triazacyclotridecan-4-one|Mayfoline
methyl 5-acetamido-1,7-anhydro-3,5-dideoxy-beta-D-glycero-D-galacto-nonulopyranoside
C12H21NO7 (291.13179560000003)
(2E,4E,8Z,10E)-12-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8,10-tetraenamide|Lanyuamide VI
(2E,4E,8Z)-12-keto-N-isobutyl-2,4,8-tetradecatrienamide|Lanyuamide II
eucatropine
C17H25NO3 (291.18343400000003)
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
Terbinafine
D - Dermatologicals > D01 - Antifungals for dermatological use > D01B - Antifungals for systemic use > D01BA - Antifungals for systemic use D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent D004791 - Enzyme Inhibitors CONFIDENCE standard compound; EAWAG_UCHEM_ID 3586 Terbinafine (TDT 067) is an orally active and potent antifungal agent. Terbinafine is a potent non-competitive inhibitor of squalene epoxidase from Candida, with a Ki of 30 nM. Terbinafine also shows antibacterial activity against certain Gram-positive and Gram-negative bacteria[1][2][3]. Terbinafine is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
Diphenhydramine Hydrochloride
C17H22ClNO (291.13898320000004)
Diphenhydramine hydrochloride is a first-generation histamine H1-receptor antagonist with anti-cholinergic effect. Diphenhydramine hydrochloride can across the ovine blood-brain barrier (BBB)[1][2].
C17H25NO3_Azepino[3,2,1-hi]furo[3,2-e]indole-2,10-dione, 8-ethyldodecahydro-11-methyl-, (7aR,8R,8aS,11S,11aS,11bR,11cR)
C17H25NO3 (291.18343400000003)
Penbutolol
C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
3H-1,2,4-Triazol-3-one, 5-ethyl-2,4-dihydro-2-(3-hydroxypropyl)-4-(2-phenoxyethyl)-
S-(3-Methylbutanoyl)dihydrolipoyllysine
C13H25NO2S2 (291.13266300000004)
S-(2-Methylbutanoyl)dihydrolipoyllysine
C13H25NO2S2 (291.13266300000004)
(2R,4R)-tert-butyl 2-phenyl-4-vinylthiazolidine-3-carboxylate
C16H21NO2S (291.12929260000004)
Norcapsaicin
C17H25NO3 (291.18343400000003)
tert-butyl 4-phenylmethoxypiperidine-1-carboxylate
C17H25NO3 (291.18343400000003)
N-METHYL-GAMMA-(2-METHYLPHENOXY)BENZENEPROPANAMINE HYDROCHLORIDE
C17H22ClNO (291.13898320000004)
Ethyl 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinate
C15H22BNO4 (291.16418020000003)
2-(4-CARBOXY-PHENYL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
TRANS-1-BOC-2-PHENYL-PYRROLIDINE-3-CARBOXYLIC ACID
Tripelennamine hydrochloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018926 - Anti-Allergic Agents Tripelennamine hydrochloride, an ethylenediamine derivative, is a potent histamine H1-receptor antagonist. Tripelennamine hydrochloride lessens the allergic response of the organism caused by histamine. Tripelennamine hydrochloride can be used for the research of rhinitis, conjunctivitis, and allergic and anaphylactic reactions[1][2][3].
TERT-BUTYL 4-(4-(AMINOMETHYL)PHENYL)PIPERAZINE-1-CARBOXYLATE
3-ETHYL-1-((2-(TRIMETHYLSILYL)ETHOXY)METHYL)-1H-INDAZOL-6-AMINE
8-N-BOC-5,6,7,8-TETRAHYDRO-1,8-NAPHTHYRIDIN-2-PROPYLAMINE
tert-butyl 4-(4-formylpyridin-2-yl)piperazine-1-carboxylate
TERT-BUTYL 4-(3-(AMINOMETHYL)PHENYL)PIPERAZINE-1-CARBOXYLATE
(2S,6S)-2,6-dibenzyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
tert-butyl 4-(aminomethyl)-4-pyridin-2-ylpiperidine-1-carboxylate
3-DIBENZYLAMINO-2-FLUOROPROPIONIC ACID BENZYL ESTER
2-((tert-Butyldimethylsilyloxy)methyl)furo[3,2-b]pyridine-6-carbaldehyde
N-[2-HYDROXYETHYL]BENZAMIDE-4-BORONIC ACID, PINACOL ESTER
C15H22BNO4 (291.16418020000003)
N-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N-(1,3-thiazol-2-yl)ethane-1,2-diamine
C15H21N3OS (291.14052560000005)
tert-butyl 3-(2-hydroxyethyl)-3-phenylpyrrolidine-1-carboxylate
C17H25NO3 (291.18343400000003)
tert-butyl 4-benzyl-4-hydroxypiperidine-1-carboxylate
C17H25NO3 (291.18343400000003)
2-(BOC-AMINO)-1,2,3,4-TETRAHYDRONAPHTHALENE-2-CARBOXYLIC ACID
TERT-BUTYL4-(2-AMINOPHENYLAMINO)PIPERIDINE-1-CARBOXYLATE
(2,4-DIMETHOXYBENZYLIDENE)CARBAMICACIDCYCLOHEXYLESTER
N-(2-METHOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ACETAMIDE
C15H22BNO4 (291.16418020000003)
9-(4-chloro-3-methoxyphenyl)-3-azaspiro[5.5]undec-9-ene
C17H22ClNO (291.13898320000004)
Ethyl (1R,2S)-2-(Cbz-amino)cyclopentanecarboxylate
1-(2-(Pyrrolidin-1-yl)ethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
4-(2-(2,6-DIMETHYLPIPERIDIN-1-YL)-2-OXOETHOXY)BENZOIC ACID
tert-butyl 4-(hydroxymethyl)-4-phenylpiperidine-1-carboxylate
C17H25NO3 (291.18343400000003)
tert-Butyl 4-[2-(aminomethyl)phenyl]piperazine-1-carboxylate
N-Methyl-gamma-(2-methylphenoxy) phenylpropylamine hydrochloride
C17H22ClNO (291.13898320000004)
N-methoxy-N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
C15H22BNO4 (291.16418020000003)
3-(2-HYDROXY-PHENYLCARBAMOYL)-1,2,2-TRIMETHYL-CYCLOPENTANECARBOXYLIC ACID
(2S,4S)-1-(TERT-BUTOXYCARBONYL)-4-PHENYLPYRROLIDINE-2-CARBOXYLIC ACID
N-BOC-5-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
[1-(3-AMINO-PHENYL)-PIPERIDIN-3-YL]-CARBAMIC ACID TERT-BUTYL ESTER
benzyl 2-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
4-Methoxy-alpha-methyl-N-(phenylmethyl)benzeneethanamine hydrochloride
C17H22ClNO (291.13898320000004)
4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-yl]morpholine
tert-amyl 2-acetamido-2-deoxy-beta-d-glucopyranoside
1,2-bis(ethenyl)benzene,1-(2-ethenylphenyl)-N,N-dimethylmethanamine
N-Methyl-N-(4-(2-biphenylyloxy)butyl)amine hydrochloride
C17H22ClNO (291.13898320000004)
N-(2-hydroxyethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
C15H22BNO4 (291.16418020000003)
(R)-(+)-2-Amino-3-methyl-1,1-diphenyl-1-butanol hydrochloride
C17H22ClNO (291.13898320000004)
3-Phenyl-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester
TERT-BUTYL 4-((PYRIDIN-3-YLMETHYL)AMINO)PIPERIDINE-1-CARBOXYLATE
3-(N,O-Dimethylhydroxylaminocarbonyl)benzeneboronic acid pinacol ester
C15H22BNO4 (291.16418020000003)
tert-butyl 4-(5-formylpyridin-2-yl)piperazine-1-carboxylate
(2R,5S)-1-(TERT-BUTOXYCARBONYL)-5-PHENYLPYRROLIDINE-2-CARBOXYLIC ACID
(2R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-2-carboxylic acid
(3S,4R)-1-(TERT-BUTOXYCARBONYL)-4-PHENYLPYRROLIDINE-3-CARBOXYLIC ACID
(1-(tert-Butoxycarbonyl)-7-methoxy-1H-indol-2-yl)boronic acid
1H-PYRROLO[2,3-B]PYRIDINE, 4-[4-(PHENYLMETHYL)-1-PIPERIDINYL]-
TERT-BUTYL 4-(3-AMINOBENZYL)PIPERAZINE-1-CARBOXYLATE
3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
4-(4-Aminobenzyl)piperazine-1-carboxylic acid tert-butyl ester
1-(tert-Butoxycarbonyl) 4-phenylpyrrolidine-3-carboxylic acid
ethyl 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)benzoate
1-(tert-Butoxycarbonyl)-4-methoxy-1H-indol-2-ylboronic acid
(S)-(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol hydrochloride
C17H22ClNO (291.13898320000004)
8-((TERT-BUTOXYCARBONYL)AMINO)-5,6,7,8-TETRAHYDRONAPHTHALENE-2-CARBOXYLIC ACID
N-cyclopropyl-3-(1H-indazol-6-yl)-4-methylbenzamide
N-cyclopropyl-3-(1H-indazol-5-yl)-4-methylbenzamide
tert-butyl 2-cyclopentyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
2-amino-4-methoxy-5-(3-morpholinopropoxy)benzonitrile
1-[(TERT-BUTYL)OXYCARBONYL]-4-PHENYLPYRROLINE-3-CARBOXYLIC ACID
Atomoxetine Hydrochloride
C17H22ClNO (291.13898320000004)
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C185721 - Norepinephrine Reuptake Inhibitor C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators Atomoxetine (Tomoxetine) hydrochloride is a selective noradrenaline reuptake inhibitor with Ki values of 5 nM, 77 nM and 1451 nM for norepinephrine (NE), serotonin (5-HT) and dopamine (DA) transporters, respectively. Atomoxetine hydrochloride is a potent Na+ channels (VGSCs) blocker. Atomoxetine hydrochloride can be used for attention-deficit hyperactivity disorder (ADHD) research[1][2][3].
trans-4-[5-(4-ethylcyclohexyl)-2-pyrimidyl]benzonitrile
(2R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-2-carboxylic acid
(2S,4R)-Boc-4-Phenyl-pyrrolidine-2-carboxylic acid
3-(1-((Benzyloxy)carbonyl)piperidin-4-yl)propanoic acid
methyl (3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinepropanoate
C17H25NO3 (291.18343400000003)
Ethyl (1S,2R)-2-(Cbz-amino)cyclopentanecarboxylate
N-(4-FLUORO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZYL)CYCLOPROPANAMINE
4-methoxy-2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidine
2-Tert-Butyl 6-Methyl 3,4-Dihydroisoquinoline-2,6(1H)-Dicarboxylate
2-(4-morpholino)pyrimidine-5-boronic acid pinacol ester
(s)-tert-butoxycarbonylamino-indan-1-yl-acetic acid
ethyl (3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate
C15H22BNO4 (291.16418020000003)
1-(3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyrrolidine
POLY(3,3,4,4-BIPHENYLTETRACARBOXYLIC DIANHYDRIDE-CO-1,4-PHENYLENEDIAMINE),AMIC ACID
2-(TERT-BUTOXYCARBONYLAMINO)-1,2,3,4-TETRAHYDRONAPHTHALENE-2-CARBOXYLIC ACID
4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-[1,1-biphenyl]-4-carbonitrile
(R)-3-(1-Pyridin-2-yl-ethylaMino)-pyrrolidine-1-carboxylic acid tert-butyl ester
3-Borono-5-methoxy-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl) ester
N,N-Dimethyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)ethanamine
tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-sulfanylbutanoate
C13H25NO4S (291.15042100000005)
2-Methoxy-N-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)ethanamine
3-Nitro-1-(4-octylphenyl)-1-propanone
C17H25NO3 (291.18343400000003)
Benzhydrol, α-(2-(dimethylamino)ethyl)-, hydrochloride
C17H22ClNO (291.13898320000004)
4-(1-((TERT-BUTOXYCARBONYL)AMINO)CYCLOBUTYL)BENZOIC ACID
TERT-BUTYL4-BENZYL-3-HYDROXYPIPERIDINE-1-CARBOXYLATE
C17H25NO3 (291.18343400000003)
2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)aniline
(Z)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine
1-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenylpyrrolidine-3-carboxylic acid
(R)-PIPERIDINE-1,3-DICARBOXYLIC ACID 1-BENZYL ESTER 3-ETHYL ESTER
3-(4-CARBOXY-PHENYL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-(4-ACETYL-1-PIPERAZINYL)-3-AMINO-BENZOIC ACID ETHYL ESTER
Edonerpic
C16H21NO2S (291.12929260000004)
C26170 - Protective Agent > C1509 - Neuroprotective Agent
N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-(2-naphthyl)acetamide
s-Triazine, 2-amino-4-((4-methyl-1-piperazinyl)methyl)-6-piperidino-
Butinoline
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
3,4-Dimethoxy-alpha-pyrrolidinopentiophenone
C17H25NO3 (291.18343400000003)
(+)-Penbutolol
(+)-Penbutolol is a β-adrenoceptor antagonist, with an IC50 of 0.74 μM[1]. (+)-Penbutolol is an optical isomer of l-penbutolol with Na+ channel-blocking action[2].
2-(5-amino-1H-tetrazol-1-yl)-N-[(E)-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]acetohydrazide
1-[({[4-(Tert-butyl)cyclohexyliden]amino}oxy)carbonyl]-4-fluorobenzene
Pecilocin
C17H25NO3 (291.18343400000003)
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AA - Antibiotics C254 - Anti-Infective Agent > C514 - Antifungal Agent
2,4-Diamino-5-(3,4,5-trimethoxy-benzyl)-pyrimidin-1-ium
(2-Amino-3-phenyl-bicyclo[2.2.1]hept-2-YL)-phenyl-methanone
4-Amino-2-octyloxy-6-hydroxymethyl-tetrahydro-pyran-3,5-diol
Melitracen
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
Befunolol
S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01ED - Beta blocking agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists C78283 - Agent Affecting Organs of Special Senses > C29705 - Anti-glaucoma Agent
(9Z,15Z)-(13S)-12,13-epoxyoctadeca-9,11,15-trienoate
Colnelenate
A oxa fatty acid anion and the conjugate base of colnelenic acid, arising from deprotonation of the carboxylic acid group.
(15Z)-12-Oxophyto-10,15-dienoate
Conjugate base of (15Z)-12-oxophyto-10,15-dienoic acid.
7-Methyl-oct-6-enoic acid 4-hydroxy-3-methoxy-benzylamide
C17H25NO3 (291.18343400000003)
(9R,13R)-12-oxophytodienoate
Conjugate base of (9R,13R)-12-oxophytodienoic acid.
6-amino-2-[(5-amino-5-carboxypentan-2-yl)amino]-5-hydroxyhexanoic acid
2-hydroxy-3-methylbutanedioylcarnitine
C12H21NO7 (291.13179560000003)
4-hydroxy-3-methoxybenzoic acid [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1H-quinazolin-4-one
5-ethyl-3-[[4-(2-methylpropoxy)phenyl]methylthio]-1H-1,2,4-triazole
C15H21N3OS (291.14052560000005)
tert-butyl N-[(E)-[4-(diethylamino)phenyl]methylideneamino]carbamate
1-[(E)-1-(4-Tert-butylphenyl)ethylideneamino]-3-propan-2-ylthiourea
2-fluoro-N-[3-hydroxy-2-(7-methoxy-1-naphthyl)propyl]acetamide
2-fluoro-N-[(2S)-3-hydroxy-2-(7-methoxy-1-naphthyl)propyl]acetamide
2-fluoro-N-[(2R)-3-hydroxy-2-(7-methoxy-1-naphthyl)propyl]acetamide
(9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoate
An unsaturated fatty acid anion resulting from the removal of a proton from the carboxy group of (9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoic acid.
5-methyl-3-[(4-pentoxyphenyl)methylthio]-1H-1,2,4-triazole
C15H21N3OS (291.14052560000005)
1-(3,4-dimethoxyphenyl)-N-propan-2-yl-1-cyclopentanecarboxamide
C17H25NO3 (291.18343400000003)
2-Hydroxy-2-phenylacetic acid (1,2,6,6-tetramethyl-3-piperidinyl) ester
C17H25NO3 (291.18343400000003)
2-(diphenylmethoxy)-N,N-dimethylethanaminium chloride
C17H22ClNO (291.13898320000004)
(2S)-2-ammonio-6-[(2S)-2-ammonio-4-carboxylato-N-hydroxybutanamido]hexanoate
(3R)-7-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxyheptanoate
(3S,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxyheptanoate
(2S)-2-[2-[(5S)-5-amino-5-carboxypentyl]hydrazinyl]pentanedioic acid
(2S)-2-amino-6-[[(2S)-2-amino-4-carboxybutanoyl]oxyamino]hexanoic acid
(2S)-2-amino-6-[[(2S)-2-amino-4-carboxybutanoyl]-hydroxyamino]hexanoic acid
5-methyl-2-[(3S)-piperidin-3-yl]-3-pyridin-4-yl-1H-indole
(4Z,7Z,10Z,13Z)-N-(2-hydroxyethyl)hexadeca-4,7,10,13-tetraenamide
2-Ethoxycarbonyl-4-methoxycarbonyl-1-methyl-5-phenylpyrrolidine (2,4-trans-4,5-cis)
(2S)-N-Carbobenzoxy-2-(4-hydroxy-1-oxobutyl)pyrrolidine
3-[(Diethoxyphosphinyl)methyl]-5-pentyl-2-isoxazoline
C13H26NO4P (291.15993660000004)
N-((1R)-Phenylethyl)-trans-3,4-DI(methoxycarbonyl)pyrrolidine
cyclopentolate
C17H25NO3 (291.18343400000003)
S - Sensory organs > S01 - Ophthalmologicals > S01F - Mydriatics and cycloplegics > S01FA - Anticholinergics C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics C78283 - Agent Affecting Organs of Special Senses > C29706 - Mydriatic Agent
LEVOBUNOLOL
C17H25NO3 (291.18343400000003)
S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01ED - Beta blocking agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists C78283 - Agent Affecting Organs of Special Senses > C29705 - Anti-glaucoma Agent
S-(2-Methylbutanoyl)-dihydrolipoamide
C13H25NO2S2 (291.13266300000004)
S-(3-Methylbutanoyl)-dihydrolipoamide-E
C13H25NO2S2 (291.13266300000004)
S(8)-(3-methylbutanoyl)dihydrolipoamide
C13H25NO2S2 (291.13266300000004)
S(8)-(2-methylbutanoyl)dihydrolipoamide
C13H25NO2S2 (291.13266300000004)
methyl 8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.0³,¹².0⁷,¹²]pentadec-10-ene-10-carboxylate
C17H25NO3 (291.18343400000003)
(2e)-n-{4-[(3-aminopropyl)amino]butyl}-3-(4-hydroxyphenyl)prop-2-enimidic acid
(2z,7as)-2-[(2e)-1-hydroxydec-2-en-1-ylidene]-tetrahydropyrrolizine-1,3-dione
C17H25NO3 (291.18343400000003)
(2e,4e)-n-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenimidic acid
1-(pyrrolidin-1-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
(2e,4e,8e,11e)-n-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenimidic acid
(2r)-2-heptyl-2-hydroxy-6-methoxy-4-methyl-1h-indol-3-one
C17H25NO3 (291.18343400000003)
3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-[(1-hydroxyethylidene)amino]propanoic acid
methyl (1s,7s,8r,12r,14s)-8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.0³,¹².0⁷,¹²]pentadec-10-ene-10-carboxylate
C17H25NO3 (291.18343400000003)
12-hydroxy-n-(2-methylpropyl)tetradeca-2,4,8,10-tetraenimidic acid
(9r,9as)-9-[(1s)-1-[(2r)-4-methyl-5-oxo-2h-furan-2-yl]propyl]-octahydropyrrolo[1,2-a]azepin-3-one
C17H25NO3 (291.18343400000003)
3-[(2r)-2,3-dihydroxy-3-methylbutyl]-4-methoxy-1-methylquinolin-2-one
(2r,3r,4r,5s,6r)-2-(hydroxymethyl)-6-(8-hydroxyoctyl)piperidine-3,4,5-triol
(2e)-1-(pyrrolidin-1-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
(2e,4 e,8z,11e)-2'-hydroxy-n-isobutyl-2,4,8,11-tetradecatetraenamide
{"Ingredient_id": "HBIN005558","Ingredient_name": "(2e,4 e,8z,11e)-2'-hydroxy-n-isobutyl-2,4,8,11-tetradecatetraenamide","Alias": "NA","Ingredient_formula": "C18H29NO2","Ingredient_Smile": "CCC=CCC=CCCC=CC=CC(=O)NCC(C)(C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10235","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2e,4 e,8z,11z)-2'-hydroxy-n-isobutyl-2,4,8,11-tetradecatetraenamide
{"Ingredient_id": "HBIN005559","Ingredient_name": "(2e,4 e,8z,11z)-2'-hydroxy-n-isobutyl-2,4,8,11-tetradecatetraenamide","Alias": "NA","Ingredient_formula": "C18H29NO2","Ingredient_Smile": "CCC=CCC=CCCC=CC=CC(=O)NCC(C)(C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10236","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-hydroxy-2-methyl-6-(11'-oxododecyl)-pyridine
{"Ingredient_id": "HBIN011591","Ingredient_name": "5-hydroxy-2-methyl-6-(11'-oxododecyl)-pyridine","Alias": "NA","Ingredient_formula": "C18H29NO2","Ingredient_Smile": "CC1=NC(=C(C=C1)O)CCCCCCCCCCC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10509","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
annopodine
C17H25NO3 (291.18343400000003)
{"Ingredient_id": "HBIN016230","Ingredient_name": "annopodine","Alias": "NA","Ingredient_formula": "C17H25NO3","Ingredient_Smile": "CC1CC23C4CCCN2CC1CC3=C(CC4O)C(=O)OC","Ingredient_weight": "291.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1323","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "12306652","DrugBank_id": "NA"}
6-methyl-1-(2-oxopyrrolidin-1-yl)dodeca-4,6-diene-1,8-dione
C17H25NO3 (291.18343400000003)
(3r,6r)-3-isopropyl-6-[(4-methoxyphenyl)methyl]-4-methylmorpholine-2,5-dione
methyl (2s)-3-[(8r,9s,13s)-8-hydroxy-1-azatricyclo[7.3.1.0⁵,¹³]trideca-3,5-dien-13-yl]-2-methylpropanoate
C17H25NO3 (291.18343400000003)
(1s,4s,6r,9s,15r)-15-hydroxy-6-methyl-13-azatetracyclo[11.3.1.0¹,⁹.0⁴,⁹]heptadecane-2,8-dione
C17H25NO3 (291.18343400000003)
3-[(2s)-2,3-dihydroxy-3-methylbutyl]-4-methoxy-1-methylquinolin-2-one
(1r,5s,6s,9s,15r,16s)-16-isopropyl-15-methyl-3,14-dioxa-11-azapentacyclo[7.5.1.1²,⁵.0¹,¹¹.0⁶,¹⁵]hexadecan-4-one
C17H25NO3 (291.18343400000003)
5-[(2e)-1-hydroxybut-2-en-1-yl]-4-{[4-(methoxymethyl)phenyl]amino}oxolan-2-one
(2e,4e,11e)-n-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenimidic acid
6-ethyl-2-hydroxy-6a,8,10-trimethyl-6h,7h,8h,9h,10h,10ah-isochromeno[4,3-c]pyridin-1-one
C17H25NO3 (291.18343400000003)
(1s,4s,5s,6s,9s)-5-hydroxy-6-methyl-13-azatetracyclo[11.3.1.0¹,⁹.0⁴,⁹]heptadecane-2,8-dione
C17H25NO3 (291.18343400000003)
4-isopropyl-1-isothiocyanato-1,4a,6,8a-tetramethyl-3,4,7,8-tetrahydro-2h-naphthalene
5-(1-hydroxybut-2-en-1-yl)-4-{[4-(methoxymethyl)phenyl]amino}oxolan-2-one
10-[(2-phenylethyl)amino]-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,7,9-tetraen-11-one
n-(2-methylpropyl)-12-oxotetradeca-2,4,8-trienimidic acid
methyl 8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.0³,¹².0⁷,¹²]pentadec-11(15)-ene-10-carboxylate
C17H25NO3 (291.18343400000003)
(6r,6as,8s,10r,10as)-6-ethyl-2-hydroxy-6a,8,10-trimethyl-6h,7h,8h,9h,10h,10ah-isochromeno[4,3-c]pyridin-1-one
C17H25NO3 (291.18343400000003)
n,n-dimethyl-2-{1h,2h,3h,9h-pyrrolo[2,1-b]quinazolin-3-yl}aniline
(2e,4e,8z,10e,12r)-12-hydroxy-n-(2-methylpropyl)tetradeca-2,4,8,10-tetraenimidic acid
(5e)-n-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloct-5-enimidic acid
C17H25NO3 (291.18343400000003)
(1r,15r)-16-isopropyl-15-methyl-3,14-dioxa-11-azapentacyclo[7.5.1.1²,⁵.0¹,¹¹.0⁶,¹⁵]hexadecan-4-one
C17H25NO3 (291.18343400000003)
(1r,3r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 4-hydroxy-3-methoxybenzoate
5-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-hexahydrofuro[3,2-b]pyridin-2-ol
C17H25NO3 (291.18343400000003)
1-[6-methyl-7-(oxan-2-yl)hepta-4,6-dienoyl]pyrrolidin-2-one
C17H25NO3 (291.18343400000003)
(6s,6ar,8r,10s,10as)-2-methoxy-6,6a,8,10-tetramethyl-6h,7h,8h,9h,10h,10ah-isochromeno[4,3-c]pyridin-1-one
C17H25NO3 (291.18343400000003)
(2e)-1-(pyrrolidin-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
3,4-dimethoxy-5-methyl-6-[(3-methylbut-2-en-1-yl)oxy]-3h-isoindol-1-ol
(2e,4e,8z,11e)-n-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenimidic acid
(2s)-1-[(2s,6r)-6-[(2s)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]butan-2-ol
n-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenimidic acid
[1-(carboxylatomethyl)-2-(non-8-en-1-yl)pyridin-4-ylidene](methyl)oxidanium
C17H25NO3 (291.18343400000003)
1-(pyrrolidin-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
(1r,4r,4ar,8as)-4-isopropyl-1-isothiocyanato-1,4a,6,8a-tetramethyl-3,4,7,8-tetrahydro-2h-naphthalene
(1r,4s,5s,6s,9s)-5-hydroxy-6-methyl-13-azatetracyclo[11.3.1.0¹,⁹.0⁴,⁹]heptadecane-2,8-dione
C17H25NO3 (291.18343400000003)
2-heptyl-2-hydroxy-6-methoxy-4-methyl-1h-indol-3-one
C17H25NO3 (291.18343400000003)
methyl 3-{8-hydroxy-1-azatricyclo[7.3.1.0⁵,¹³]trideca-3,5-dien-13-yl}-2-methylpropanoate
C17H25NO3 (291.18343400000003)
methyl (1s,7s,8r,10s,12s)-8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.0³,¹².0⁷,¹²]pentadec-11(15)-ene-10-carboxylate
C17H25NO3 (291.18343400000003)
9-[1-(4-methyl-5-oxo-2h-furan-2-yl)propyl]-octahydropyrrolo[1,2-a]azepin-3-one
C17H25NO3 (291.18343400000003)
10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.0⁴,¹⁶.0¹¹,¹⁵]hexadecane-3,13-dione
C17H25NO3 (291.18343400000003)
(2e,4e)-n-(2-methylpropyl)-12-oxotetradeca-2,4,8-trienimidic acid
(1r,2r,5s,6s,9s,15r,16s)-16-isopropyl-15-methyl-3,14-dioxa-11-azapentacyclo[7.5.1.1²,⁵.0¹,¹¹.0⁶,¹⁵]hexadecan-4-one
C17H25NO3 (291.18343400000003)
(3r,6s)-3-isopropyl-6-[(4-methoxyphenyl)methyl]-4-methylmorpholine-2,5-dione
(2s,3as,5s,7as)-5-[(2s)-2-hydroxy-2-phenylethyl]-2,4-dimethyl-hexahydrofuro[3,2-b]pyridin-2-ol
C17H25NO3 (291.18343400000003)
(2e,4e,8z)-n-(2-methylpropyl)-12-oxotetradeca-2,4,8-trienimidic acid
(2r,3ar,5r,7ar)-5-[(2r)-2-hydroxy-2-phenylethyl]-2,4-dimethyl-hexahydrofuro[3,2-b]pyridin-2-ol
C17H25NO3 (291.18343400000003)
1-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]butan-2-ol
(4s,5r)-5-[(1e,3s)-3-hydroxybut-1-en-1-yl]-4-{[4-(methoxymethyl)phenyl]amino}oxolan-2-one
n-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloct-5-enimidic acid
C17H25NO3 (291.18343400000003)
(1r,2r,10s,11r,13s,15r)-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadecan-11-yl acetate
3-isopropyl-6-[(4-methoxyphenyl)methyl]-4-methylmorpholine-2,5-dione
(1ar,5s,6s,7s,7ar,7bs)-5-[(1e,3e)-4-cyclopropyl-2-methylbuta-1,3-dien-1-yl]-7-methyl-hexahydro-1ah-oxireno[2,3-g]indolizine-6,7-diol
C17H25NO3 (291.18343400000003)
15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadecan-11-yl acetate
(2e,4e,8z)-n-[(2s)-butan-2-yl]-12-oxotetradeca-2,4,8-trienimidic acid
methyl 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]acetate
C17H25NO3 (291.18343400000003)
2-methoxy-6,6a,8,10-tetramethyl-6h,7h,8h,9h,10h,10ah-isochromeno[4,3-c]pyridin-1-one
C17H25NO3 (291.18343400000003)
(6s,6ar,8r,10s,10ar)-2-methoxy-6,6a,8,10-tetramethyl-6h,7h,8h,9h,10h,10ah-isochromeno[4,3-c]pyridin-1-one
C17H25NO3 (291.18343400000003)
methyl (1s,7s,8r,10s,12s,14s)-8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.0³,¹².0⁷,¹²]pentadec-11(15)-ene-10-carboxylate
C17H25NO3 (291.18343400000003)
n,n-dimethyl-2-[(3r)-1h,2h,3h,9h-pyrrolo[2,1-b]quinazolin-3-yl]aniline
5-[(1e)-3-hydroxybut-1-en-1-yl]-4-{[4-(methoxymethyl)phenyl]amino}oxolan-2-one
(2e,4e,8z,11z)-n-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenimidic acid
(2e,4e,8z,10e)-12-hydroxy-n-(2-methylpropyl)tetradeca-2,4,8,10-tetraenimidic acid
(1r,9r,10r,11s,14s,15s,16r)-10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.0⁴,¹⁶.0¹¹,¹⁵]hexadecane-3,13-dione
C17H25NO3 (291.18343400000003)