Exact Mass: 272.119457
Exact Mass Matches: 272.119457
Found 500 metabolites which its exact mass value is equals to given mass value 272.119457,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
ARNEBIN-7
Deoxyshikonin is a hydroxy-1,4-naphthoquinone. Deoxyshikonin is a natural product found in Arnebia hispidissima, Alkanna cappadocica, and other organisms with data available. See also: Arnebia guttata root (part of); Arnebia euchroma root (part of); Lithospermum erythrorhizon root (part of). Deoxyshikonin is isolated from Arnebia euchroma with antitumor activity. Deoxyshikonin increases the expression of VEGF-C and VEGF-A mRNA in HMVEC-dLy, promotes HIF-1α and HIF-1β subunit interaction and binds to specific DNA sequences targeted by HIF, indicates a prolymphangiogenesis as well as a proangiogenesis effect in vitro[1]. Deoxyshikonin shows significant synergic antimicrobial activity against S. pneumonia (MIC=17 μg/mL), also shows significantly inhibitory activities against MRSA[2]. Deoxyshikonin increases the expression of VEGF-C and VEGF-A mRNA in HMVEC-dLy, promotes HIF-1α and HIF-1β subunit interaction and binds to specific DNA sequences targeted by HIF. Deoxyshikonin inhibited colorectal cancer (CRC) through the PI3K/Akt/mTOR pathway. Deoxyshikonin has proangiogenesis effect and antitumor activity. Deoxyshikonin is an antibacterial agent against methicillin-resistant S. aureus (MRSA) and S. pneumonia (MIC=17 μg/mL)[1][2][3]. Deoxyshikonin is isolated from Arnebia euchroma with antitumor activity. Deoxyshikonin increases the expression of VEGF-C and VEGF-A mRNA in HMVEC-dLy, promotes HIF-1α and HIF-1β subunit interaction and binds to specific DNA sequences targeted by HIF, indicates a prolymphangiogenesis as well as a proangiogenesis effect in vitro[1]. Deoxyshikonin shows significant synergic antimicrobial activity against S. pneumonia (MIC=17 μg/mL), also shows significantly inhibitory activities against MRSA[2].
3-HPT
(E)-4-(3,5-Dimethoxystyryl)benzene-1,2-diol is a natural product found in Sphaerophysa salsula with data available. 3'-Hydroxypterostilbene is a Pterostilbene (HY-N0828) analogue. 3'-Hydroxypterostilbene inhibits the growth of COLO 205, HCT-116 and HT-29 cells with IC50s of 9.0, 40.2 and 70.9 μM, respectively. 3'-Hydroxypterostilbene significantly down-regulates PI3K/Akt and MAPKs signaling pathways and effectively inhibits the growth of human colon cancer cells by inducing apoptosis and autophagy. 3'-Hydroxypterostilbene can be used for the research of cancer[1].
sempervirin
Sempervirine is a member of beta-carbolines. Sempervirene is a natural product found in Gelsemium sempervirens, Mostuea brunonis, and Gelsemium elegans with data available.
ACMC-20n6an
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid is a 1-benzopyran. 2,2-Dimethyl-8-prenylchromene 6-carboxylic acid is a natural product found in Piper aduncum and Piper hispidum with data available.
Sotalol
Sotalol is only found in individuals that have used or taken this drug. It is an adrenergic beta-antagonist that is used in the treatment of life-threatening arrhythmias (PubChem). Sotalol has both beta-adrenoreceptor blocking (Vaughan Williams Class I) and cardiac action potential duration prolongation (Vaughan Williams Class I) antiarrhythmic properties. Sotalol is a racemic mixture of d- and l-sotalol. Both isomers have similar Class I antiarrhythmic effects, while the l-isomer is responsible for virtually all of the beta-blocking activity. Sotalol inhibits response to adrenergic stimuli by competitively blocking β1-adrenergic receptors within the myocardium and β2-adrenergic receptors within bronchial and vascular smooth muscle. The electrophysiologic effects of sotalol may be due to its selective inhibition of the rapidly activating component of the potassium channel involved in the repolarization of cardiac cells. The class II electrophysiologic effects are caused by an increase in sinus cycle length (slowed heart rate), decreased AV nodal conduction, and increased AV nodal refractoriness, while the class III electrophysiological effects include prolongation of the atrial and ventricular monophasic action potentials, and effective refractory period prolongation of atrial muscle, ventricular muscle, and atrio-ventricular accessory pathways (where present) in both the anterograde and retrograde directions.
Eleutherin
D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D004791 - Enzyme Inhibitors [Raw Data] CBA06_Eleutherin_pos_20eV_000003.txt [Raw Data] CBA06_Eleutherin_pos_40eV_000003.txt [Raw Data] CBA06_Eleutherin_pos_50eV_000003.txt [Raw Data] CBA06_Eleutherin_pos_10eV_000003.txt [Raw Data] CBA06_Eleutherin_pos_30eV_000003.txt
1-(2,6-Dihydroxy-4-methoxyphenyl)-3-phenyl-1-propanone
1-(2,6-Dihydroxy-4-methoxyphenyl)-3-phenyl-1-propanone is isolated from Populus balsamifera (balsam poplar) oi Isolated from Populus balsamifera (balsam poplar) oil.
1,2-Bis(4-hydroxy-3-methoxyphenyl)ethylene
1,2-bis(4-hydroxy-3-methoxyphenyl)ethylene is found in fats and oils. 1,2-bis(4-hydroxy-3-methoxyphenyl)ethylene is a constituent of the leaves of Ginkgo biloba (ginkgo). Constituent of the leaves of Ginkgo biloba (ginkgo). 1,2-bis(4-hydroxy-3-methoxyphenyl)ethylene is found in fats and oils.
1a,11b-Dihydro-4,9-dimethylbenz[a]anthra[3,4-b]oxirene
This compound belongs to the family of Phenanthrenes and Derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
7-Hydroxymethyl-12-methylbenz[a]anthracene
This compound belongs to the family of Phenanthrenes and Derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
7,12-Dimethylbenz[a]anthracene 5,6-oxide
This compound belongs to the family of Dibenzoxepines. These are compounds containing a dibenzoxepine moiety, which consists of two benzene connected by an oxazepine ring.
Procaine hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Isovestitol
Phytoalexin of Lablab niger (hyacinth bean). Isovestitol is found in hyacinth bean and pulses. Isovestitol is found in hyacinth bean. Phytoalexin of Lablab niger (hyacinth bean
(S)-Verimol F
(S)-Verimol F is found in fruits. (S)-Verimol F is a constituent of Illicium verum (Chinese star anise). Constituent of Illicium verum (Chinese star anise). (S)-Verimol F is found in fruits.
1-(2,4-dihydroxy-3-methoxyphenyl)-3-phenylpropan-1-one
3'-O-Methylequol
3-O-Methylequol is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
2,4,6-Trimethoxybenzophenone
2,4,6-Trimethoxybenzophenone is found in garden tomato. 2,4,6-Trimethoxybenzophenone is isolated from Cascara sagrada. Isolated from Cascara sagrada. 2,4,6-Trimethoxybenzophenone is found in garden tomato.
5C-aglycone
5C-aglycone is one of the two major aglycone urinary water-soluble metabolites of Phylloquinone (Vitamin K1) and menaquinones (vitamin K2), usually excreted as glucuronide conjugates; their structure suggests that they are formed by an oxidative degradation of the phytyl side chain involving enzymes of omega- and beta-oxidation. Newborn infants as a group, are known to have precariously low vitamin K stores and are routinely given vitamin K prophylaxis at birth. (PMIDs 7306367, 4833371, 15722567) [HMDB] 5C-aglycone is one of the two major aglycone urinary water-soluble metabolites of Phylloquinone (Vitamin K1) and menaquinones (vitamin K2), usually excreted as glucuronide conjugates; their structure suggests that they are formed by an oxidative degradation of the phytyl side chain involving enzymes of omega- and beta-oxidation. Newborn infants as a group, are known to have precariously low vitamin K stores and are routinely given vitamin K prophylaxis at birth. (PMIDs 7306367, 4833371, 15722567).
Decarbamoylneosaxitoxin
Decarbamoylneosaxitoxin is isolated from the crab Zosimus aeneus. Isolated from the crab Zosimus aeneus.
Marminal
Marminal is found in fruits. Marminal is a constituent of the roots of Aegle marmelos (bael) Constituent of the roots of Aegle marmelos (bael). Marminal is found in fruits.
(2S,4R)-4-(9H-Pyrido[3,4-b]indol-1-yl)-1,2,4-butanetriol
Maillard reaction product from xylose and tryptophan. Maillard reaction product from xylose and tryptophan
4',7-Dihydroxy-3'-methoxyisoflavan
4,7-Dihydroxy-3-methoxyisoflavan is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
4',7-Dihydroxy-6-methoxyisoflavan
4,7-Dihydroxy-6-methoxyisoflavan is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
6-O-Methylequol
6-O-Methylequol is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
Camonagrel
C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent
n-methyl-2-(4'-methylaminophenyl)-6-hydroxybenzothiazole
Cannithrene 2
Cannithrene-2, is one of two isomers of cannithrene (the other being canninthrene-1). It belongs to the class of organic compounds known as hydrophenanthrenes. These are a phenanthrene derivatives where at least one ring carbon-carbon double bond has been reduced via hydrogenation. Phenanthrenes are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzenes. Hydrophenanthrenes in Cannabis are structurally derived from stilbenoids, which have undergone an additional cyclazation reaction to yield the phenanthrene skeleton. Cannithrene 1 and 2 were the first two dihydrophenanthrenes isolated from Cannabis (PMID: 28799497). Cannithrene 2 is a hydrophobic, neutral compound that is insoluble in water. So far, no biological activity has been associated with cannithrene 2. Cannithrene 2 is one of the non-cannabinoid compounds that have been identified in cannabis plants (https://doi.org/10.1007/978-1-59259-947-9_2). Cannithrene 2 is a member of the class of compounds known as hydrophenanthrenes. Hydrophenanthrenes are a phenanthrene derivative where at least one ring CC bond is substituted by hydrogenation. Cannithrene 2 is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Cannithrene 2 can be found in black crowberry, which makes cannithrene 2 a potential biomarker for the consumption of this food product.
Loureirin C
Loureirin C is a member of dihydrochalcones. Loureirin C is a natural product found in Dracaena draco, Dracaena cinnabari, and other organisms with data available. Loureirin C has anti-bacterial, anti-spasmodic, anti-inflammatory, analgesic, anti-diabetic, and anti-tumor activities[1]. Loureirin C has anti-bacterial, anti-spasmodic, anti-inflammatory, analgesic, anti-diabetic, and anti-tumor activities[1].
Methyl 10-angeloyloxy-2Z,8Z-decadiene-4,6-dinynoate
2,4-dihydroxy-6-phenethyl-benzoic acid methyl ester
8-Hydroxy-6-methoxy-3,4,5-trimethylnaphtho[2,3-b]furan-9(4H)-one
Fumarylcarboxamido-L-2,3-diaminopropionyl-L-alanine
1,7-Dihydroxy-2,5-dimethoxy-9,10-dihydrophenanthrene
4,7-Dihydroxy-2,6-dimethoxy-9,10-dihydrophenanthrene
Eulophiol
Eulophiol is a natural product found in Eulophia petersii and Pholidota chinensis with data available.
1-(4-Hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)-2-propanone
5,6-Dihydroxy-2,4-dimethoxy-9,10-dihydropenanthrene
threo-3-(4-Hydroxy-3,5-dimethoxyphenyl)-3-ethoxypropane-1,2-diol
2,7-Dihydroxy-1,5-dimethoxy-9,10-dihydrophenanthrene
Linderene acetate
Linderene acetate, isolated from the root of Lindera strychnifolia, is a prolyl endopeptidase inhibitor[1]. Linderene acetate, isolated from the root of Lindera strychnifolia, is a prolyl endopeptidase inhibitor[1].
vacor
CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2903; ORIGINAL_PRECURSOR_SCAN_NO 2901 D010575 - Pesticides > D012378 - Rodenticides D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2906; ORIGINAL_PRECURSOR_SCAN_NO 2903 CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2879; ORIGINAL_PRECURSOR_SCAN_NO 2877 CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2868; ORIGINAL_PRECURSOR_SCAN_NO 2865 CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2904; ORIGINAL_PRECURSOR_SCAN_NO 2902 CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2903; ORIGINAL_PRECURSOR_SCAN_NO 2900 CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6117; ORIGINAL_PRECURSOR_SCAN_NO 6115 CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6123; ORIGINAL_PRECURSOR_SCAN_NO 6122 CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6137; ORIGINAL_PRECURSOR_SCAN_NO 6134 CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6149; ORIGINAL_PRECURSOR_SCAN_NO 6147 CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6171; ORIGINAL_PRECURSOR_SCAN_NO 6170 CONFIDENCE standard compound; INTERNAL_ID 815; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6154; ORIGINAL_PRECURSOR_SCAN_NO 6152
3-{[(7-methoxy-2-oxochromen-4-yl)methyl]methylamino}propanenitrile
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.948 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.944 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.946
6-Acetoxy-piliformic-acid
[Raw Data] CBA55_6-Acetoxy-pi_pos_50eV.txt [Raw Data] CBA55_6-Acetoxy-pi_pos_40eV.txt [Raw Data] CBA55_6-Acetoxy-pi_pos_30eV.txt [Raw Data] CBA55_6-Acetoxy-pi_pos_20eV.txt [Raw Data] CBA55_6-Acetoxy-pi_pos_10eV.txt
trans-(E)-10-acetyloxy-2-(2,4-hexadiynylidene)-1,6-dioxaspiro<4.5>dec-3-ene
(R)-3-((4-S,9-S,Z)-4,9-dihydroxyundeca-2,10-dien-5,7-diynyl)-5-methylfuran-2(5H)-one|trocheliophorolide C
12,13-dihydroxy-3,8,11,13-celastratrtraen-7-one|celahypodiol
3,5-Dimethyl-4-(methoxymethyl)-9-methoxy-5,6-dihydronaphtho[2,3-b]furan
3,4,5-Trimethyl-7-methoxy-8-hydroxynaphtho[2,3-b]furan-9(4H)-one
Tensyuic acid C
A tensyuic acid that is tensyuic acid B in which the methyl ester group has been replaced by an ethyl ester group. The (-) isomer. In contrast to (inactive) tensyuic acid B, tensyuic acid C shows moderate antimicrobial activity against Bacillus subtilis.
2-Hydroxy-4,6-dimethoxy-3-methyl-benzophenon|2-hydroxy-4,6-dimethoxy-3-methyl-benzophenone
2-(2-Hydroxyphenyl)acetic acid 4-hydroxyphenethyl ester
(5beta,10alpha)-12-hydroxy-3,4-seco-podocarpa-4(18),6,8,11,13-pentaen-3-oic acid|6,7-dehydromoluccanic acid
2-Thioxo-5-propyl-5-(3-hydroxy-3-methylbutyl)-2,3-dihydropyrimidine-4,6(1H,5H)-dione
11-Hydroxy-1,2,3,4-tetrahydro-1,2-propano-beta-carboline-11-carboxylic acid
2-(4-acetoxymethylfuryl)-4-vinylanisole|2-<4-acetoxymethylfuryl>-4-vinylanisole
2-(1,2,3-trihydroxypropyl)1,2,3,4,5,6-hexahydroxyhexane
3-Hydrocy-8-isopropyl-7-methoxy-5-methyl-2-naphthaldehyde
3,4-dihydro-3,9-dihydroxy-8-methoxy-3-methyl-1(2h)-anthracenone
(+-)-Calcalol-acetat|(S)-5,6,7,8-tetrahydro-3,4,5-trimethylnaphtho[2,3-b]furan-9-yl acetate|cacalol acetate|cacalol acetete|Cacalolacetat|cacalolacetate|O-Acetyl-cacalol
phoyunbene C|trans-3,3-dihydroxy-2,5-dimethoxystilbene
3-hydroxy-8-acetoxypentadeca-1,9,14-trien-4,6-diyne|8-Ac-(Z)-1,9,14-Pentadecatriene-4,6-diyne-3,8-diol|8-Acetoxy-pentadeca-1,6c,14-trien-9,11-diin-13-ol
gamma-L-Glutamyl-L-erythro-2-amino-3-hydroxyhex-4-ynsaeure
gamma-L-Glutamyl-trans-alpha-L-(carboxycyclopropyl)-glycin
6,9-dihydroxy-5-methoxy-2-methyl-3,4-dihydroanthracen-1(2H)-one|menamesone B
7,10-Dihydroxy-8,9-epoxy-heptadec-1-en-11,13,15-triin
(1S,5S,8S)-5-hydroxy-8-(4-hydroxyphenyl)-1-methylbicyclo[3.3.1]non-3-ene-2,9-dione|tazettone A
5aalpha,6,9,9abeta,10-pentahydro-10beta-hydroxy-7-methylanthra[1,2-d][1,3]dioxol-5-one
2-acetyl-9-methoxy-11,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5(10H)-one|boseongazepine A
(E)-2-ethylidene-11-hydroxy-9-methoxy-2,3-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5(11aH)-one|boseongazepine B
(+)-(alphaR)-alpha-methoxy-2?,4?-dihydroxydihydrochalcone
1alpha,3beta-dihydroxy-4alpha-(3?,4?-dihydroxyphenyl)-1,2,3,4-tetrahydronaphthalene|cyperotundol
2-(2,4-dihydroxy-5-methylphenyl)-2-(3-hydroxy-4-methylphenyl)propane
11-methoxycarbonyl-guaia-1(10),5(6),7(11),8(9)-tetraene-6,12-olide
3,9-dihydroxy-6-methoxy-8-methyl-3,4-dihydro-2H-anthracen-1-one|aloespanol II
1-(1-hydroxy-2-methoxy)ethyl-4-methoxy-beta-carboline|1-(1-Hydroxy-2-methoxyethyl)-4-methoxy-beta-carboline
3-(1,1-dimethyl-allyl)-7-methoxy-2-oxo-2H-chromene-6-carbaldehyde|3-(1,1-Dimethylallyl)-6-formyl-7-methoxy-cumarin
(-)-elecanacin|(-)-elecanacinY(2R,3aR,4aR,10aR)-6-methoxy-2-methyl-1,2,4,4a-tetrahydro-10H-naphtho[2,3:2,3]cyclobuta[1,2-b]furan-5,10(3aH)-dione|elecanacin
2,3,4,13-tetrahydro-1H-benz[g]indolo[2,3-a]quinolizine|sempervirine
(1,8E,13Z,16)-heptadecatetraene-4,6-diyne-3,11,12-triol
4-Hydroxy-5-isopropyl-3-methoxy-7-methyl-2H-naphtho[1,8-bc]furan-2-one
2, 5-Di-Me ether-1-(3, 5-Dihydroxy-2-methylphenyl)-2-(2-hydroxypyenyl)ethane|3-hydroxy-2,5-dimethoxy-2-methylbibenzyl
4-[2-(3,5-dimethoxyphenyl)ethenyl]benzene-1,2-diol
(-)-(4aR,8aR)-15-acetoxytubipofuran|(4aR,8aR)-15-acetoxytubipofuran|(4aR,8aR)-4,4a,8a,9-tetrahydro-3,8a-dimethylnaphtho[2,3-b]furan-5-methanol acetate|15-acetoxytubipofuran
3-Hydroxy-2-(5-phenylpentanoyl)-2-cyclohexen-1-one
(all-E)-3-Hydroxy-7,9,15-heptadecatriene-11,13-diynoic acid
1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)-1-propanone
Tensyuic acid D
A tensyuic acid that is tensyuic acid B in which the non-conjugated carboxy group has been converted to the corresponding methyl ester. The (+)-isomer, isolated from Aspergillus niger FKI-2342.
2-(4-Hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-6-ol
2,7-dihydroxy-4,8-dimethoxy-9,10-dihydrophenanthrene
1-[4-(benzyloxy)-2-hydroxy-3-methoxyphenyl]ethan-1-one
Isoeleutherin
[Raw Data] CBA07_Isoeleutherin_pos_50eV_000004.txt [Raw Data] CBA07_Isoeleutherin_pos_40eV_000004.txt [Raw Data] CBA07_Isoeleutherin_pos_30eV_000004.txt [Raw Data] CBA07_Isoeleutherin_pos_20eV_000004.txt [Raw Data] CBA07_Isoeleutherin_pos_10eV_000004.txt Isoeleutherin is a naphthopyran derivative isolated from E. americana Merr. Et Heyne with anti-fungal, anti-viral, and anti-tumor activities. Isoeleutherin plays an important role in selective modulation of T helper cell-mediated immune responses[1].
9JHS2AVR43
(-)-vestitol is a methoxyisoflavan that is (R)-isoflavan substituted by a methoxy group at position 4 and hydroxy groups at positions 7 and 2 respectively. It has a role as a plant metabolite. It is a member of hydroxyisoflavans and a methoxyisoflavan. It derives from a hydride of a (R)-isoflavan. (-)-Vestitol is a natural product found in Pterocarpus soyauxii, Dalbergia sissoo, and other organisms with data available. See also: Glycyrrhiza uralensis Root (part of). A methoxyisoflavan that is (R)-isoflavan substituted by a methoxy group at position 4 and hydroxy groups at positions 7 and 2 respectively.
4-Hydroxyphenethylanisate
4-methoxybenzoic acid 2-(4-hydroxyphenyl)ethyl ester is a methoxybenzoic acid. 2-(4-Hydroxyphenyl)ethyl 4-methoxybenzoate is a natural product found in Euphorbia micractina, Hansenia forbesii, and other organisms with data available.
Lindeneyl acetate
Linderene acetate is a natural product found in Lindera chunii with data available. Linderene acetate, isolated from the root of Lindera strychnifolia, is a prolyl endopeptidase inhibitor[1]. Linderene acetate, isolated from the root of Lindera strychnifolia, is a prolyl endopeptidase inhibitor[1].
Vestitol
The S-enantiomer of vestitol. Vestitol is a member of the class of hydroxyisoflavans that is isoflavan substituted by hydroxy groups at positions 7 and 2 and a methoxy group at position 4. Isolated from Glycyrrhiza uralensis, it exhibits anti-inflammatory activity. It has a role as an anti-inflammatory agent, a plant metabolite and a phytoalexin. It is an aromatic ether, a member of hydroxyisoflavans and a methoxyisoflavan. Vestitol is a natural product found in Lotus japonicus, Medicago rugosa, and other organisms with data available. A member of the class of hydroxyisoflavans that is isoflavan substituted by hydroxy groups at positions 7 and 2 and a methoxy group at position 4. Isolated from Glycyrrhiza uralensis, it exhibits anti-inflammatory activity.
sotalol
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 D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents C93038 - Cation Channel Blocker CONFIDENCE Reference Standard (Level 1)
1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenylpropan-1-one
(3Z)-3-[(4-hydroxyphenyl)methylidene]-2-methyl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
PYR_273.1235_11.5
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1704
C16H16O4_2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(2-hydroxy-4-methoxyphenyl)
C16H16O4_Benzoic acid, 2-hydroxy-4-methoxy-6-(2-phenylethyl)
2-o-methyl-5-methyluridine
5-Methyl-2′-O-methyl-uridine (2'-O-methyl-5-methyluridine) is a thymidine analog. Analogs of this series have insertional activity towards replicated DNA. They can be used to label cells and track DNA synthesis[1].
4-{9H-pyrido[3,4-b]indol-1-yl}butane-1,2,4-triol
N-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL-2-(ETHYLAMINO)ACETAMIDE HYDROCHLORIDE
C12H17ClN2O3 (272.09276420000003)
2(1H)-Pyrimidinone,5-acetyl-4-(3-ethenyl-2-hydroxyphenyl)-3,4-dihydro-6-methyl-(9CI)
ETHYL 2-(((BENZYLOXY)CARBONYL)AMINO)ACETIMIDATE HYDROCHLORIDE
C12H17ClN2O3 (272.09276420000003)
(R)-2-(3-(TERT-BUTOXYCARBONYLAMINO)-2-OXOPIPERIDIN-1-YL)ACETIC ACID
4-(2-methyl-4-nitrophenoxy)piperidine,hydrochloride
C12H17ClN2O3 (272.09276420000003)
(+)-(s)-n-[4-[1-hydroxy-2-(isopropylamino)ethyl]phenyl]methanesulfonamide
4-AMINO-6-CYANO-3(2H)-QUINAZOLINECARBOXYLIC ACID-1,1-DIMETHYLETHYL ESTER
C14H16N4O2 (272.12731959999996)
(6-HYDROXY-5-(TETRAHYDRO-2H-PYRAN-2-YL)NAPHTHALEN-2-YL)BORONIC ACID
C15H17BO4 (272.12198320000005)
2-[[(5-Fluoro-2-hydroxyphenyl)phenylmethylene]amino]acetamide
4-(3-(2-METHOXY-4-METHYLPHENYL)PROPYL)BENZENE-1,3-DIOL
3-methoxy-2-[(3-methoxyphenyl)methoxy]benzaldehyde
2-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)oxazole
2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]-1,3-oxazole
Bunaprolast
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor
tert-Butylpiperazin-1-yl-acetate dihydrochloride
C10H22Cl2N2O2 (272.10582519999997)
(E)-TERT-BUTYL4-(1-AMINO-3-ETHOXY-3-OXOPROP-1-ENYL)PIPERIDINE-1-CARBOXYLATE
C16H17O2P (272.09661120000004)
4,4,5,5-TETRAMETHYL-2-(4-(TRIFLUOROMETHYL)PHENYL)-1,3,2-DIOXABOROLANE
C13H16BF3O2 (272.11953819999997)
4,4,5,5-TETRAMETHYL-2-(3-(TRIFLUOROMETHYL)PHENYL)-1,3,2-DIOXABOROLANE
C13H16BF3O2 (272.11953819999997)
CHROMONE-6-BORONIC ACID PINACOL ESTER
C15H17BO4 (272.12198320000005)
ethyl 4-(aminomethyl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate,hydrochloride
2-[5-(4-Amino-phenyl)-tetrazol-2-yl]-1-pyrrolidin-1-yl-ethanone
C13H16N6O (272.13855259999997)
2-[(4-Methoxyphenyl)dimethylsilyl]benzyl alcohol
C16H20O2Si (272.12325000000004)
4-(2H-Tetrazol-5-yl)benzeneboronic acid pinacol ester
4,4,5,5-TETRAMETHYL-2-(2-(TRIFLUOROMETHYL)PHENYL)-1,3,2-DIOXABOROLANE
C13H16BF3O2 (272.11953819999997)
4-[(1-PHENYL-ETHYLAMINO)-METHYL]-BENZONITRILE HYDROCHLORIDE
ethyl prop-2-enoate,N-(hydroxymethyl)prop-2-enamide,prop-2-enamide
2,3,6,7-tetramethylnaphthalene-1,4-dicarboxylic acid
7-Benzyl-2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione
1H-Benz[g]indole-3-carboxaldehyde,2-(2-pyridinyl)-(9CI)
1H-Benz[g]indole-3-carboxaldehyde,2-(3-pyridinyl)-(9CI)
1H-Benz[g]indole-3-carboxaldehyde,2-(4-pyridinyl)-(9CI)
(S)-2-(3-BOC-AMINO)-2-OXOPIPERIDIN-1-YL)ACETIC ACID
(4-((2-(Dimethylamino)ethyl)carbamoyl)phenyl)boronic acid hydrochloride
2-(4-methyl-piperazin-1-yl)-4-oxo-4h-pyrido[1,2-a]pyrimidine-3-carbaldehyde
C14H16N4O2 (272.12731959999996)
2-(6-fluoronaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
(4-isobutyl-piperazin-1-yl)-acetic acid dihydrochloride
C10H22Cl2N2O2 (272.10582519999997)
tert-butyl N-[2-amino-2-(2,4-difluorophenyl)ethyl]carbamate
(2-amino-2-phenyl-ethyl)-carbamic acid tert-butyl ester hydrochloride
(s)-2-(2-naphthylmethyl)succinic acid-1-methyl ester
(S)-2-(1-NAPHTHYLMETHYL)SUCCINIC ACID-1-METHYL ESTER
(3-Amino-5-(diethylcarbamoyl)phenyl)boronic acid hydrochloride
bis(4-methoxyphenyl)-dimethylsilane
C16H20O2Si (272.12325000000004)
2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,4-oxadiazole
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,4-oxadiazole
tert-butyl 2-(2-chloroethyl)-2-cyanopiperidine-1-carboxylate
3-(furan-2-ylmethyl)-7,7-dimethyl-6,8-dihydrochromene-2,5-dione
dimethoxy-bis(4-methylphenyl)silane
C16H20O2Si (272.12325000000004)
tert-Butyl 3-(aminomethyl)benzylcarbamate hydrochloride
ethenyl acetate,2-methylidenebutanoic acid,2-methylprop-2-enoic acid
2-CHLORO-6,7,8,9-TETRAHYDRO-7-(PHENYLMETHYL)-5H-PYRIDO[2,3-D]AZEPINE
[1-(6-Ethoxy-pyriMidin-4-yl)-piperidin-3-yl]-Methyl-aMine hydrochloride
3-PHENYL-1-(PYRIDIN-2-YL)-6,7-DIHYDRO-5H-CYCLOPENTA[C]PYRIDINE
Benzyl (4-aminobutyl)methylcarbamate hydrochloride (1:1)
4-(2-Hydroxy-5-methylphenylazo)acetanilide-d3, N-[4-(2-Hydroxy-5-methylphenylazo)phenyl]acetamide-d3
C15H12D3N3O2 (272.13525253399996)
3-[3-(2-carboxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoic acid
L-Alanine, N-L-alanyl-3-((4-amino-1,4-dioxo-2-butenyl)amino)-, (E)-
Phoyunbene C
A stilbenoid that is trans-stilbene substituted by hydroxy groups at positions 3 and 3 and methoxy groups at positions 2 and 5. Isolated from Pholidota yunnanensis, it exhibits inhibitory activity on nitric oxide production.
5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-2-furohydrazide
9,10-Dimethoxy-2,4,6,7-tetrahydro-[1,3]oxazino[4,3-a]isoquinoline-1-carbonitrile
N-{2-[6-methyl-3-(methylsulfanyl)-1,2,4-triazin-5-yl]vinyl}-N-(4-methylphenyl)amine
1-[2-Hydroxy-4-(4-methoxy-benzyloxy)-phenyl]ethanone
1H-Pyrimido[1,2-a]quinoline-2-carboxylic acid, 4,4a,5,6-tetrahydro-1-oxo-, ethyl ester
(S)-norcoclaurinium(1+)
C16H18NO3+ (272.12866180000003)
An organic cation that is the conjugate base of (S)-norcoclaurine: major species at pH 7.3.
norcoclaurine
C16H18NO3+ (272.12866180000003)
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents D000893 - Anti-Inflammatory Agents D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents D018501 - Antirheumatic Agents
[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-phenylmethoxypropan-2-yl]azanium
C16H18NO3+ (272.12866180000003)
(1R)-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol
C16H18NO3+ (272.12866180000003)
(2S)-3-[[(E)-4-amino-4-oxobut-2-enoyl]amino]-2-[[(2S)-2-azaniumylpropanoyl]amino]propanoate
2,6-diamino-4-(hydroxymethyl)-5-oxido-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-5-ium-10,10-diol
(2r)-1-(2,4-Dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one
3,5,5-Trimethyl-2-sulfanylidene-1,6-dihydrobenzo[h]quinazolin-4-one
Tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
N-[(3-fluorobenzoyl)oxy]-4-methylbenzenecarboximidamide
N-(3-acetylphenyl)-5-propan-2-yl-3-isoxazolecarboxamide
2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]propanoic acid butyl ester
2-[4-[(3-Fluorophenyl)methyl]-1-piperazinyl]pyrimidine
1-(4,6-Dimethoxy-2-pyrimidinyl)-3-(2-methoxyethyl)thiourea
(E)-3-(4-fluorophenyl)-N-(6-methoxypyridin-3-yl)prop-2-enamide
2-(2-Phenylethylthio)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
(4aR,10bS)-8-hydroxy-9-methoxy-3-oxo-4,4a,5,6-tetrahydro-3H-5,10b-ethanophenanthridin-5-ium
C16H18NO3+ (272.12866180000003)
(4aS,10bR)-8-hydroxy-9-methoxy-3-oxo-4,4a,5,6-tetrahydro-3H-5,10b-ethanophenanthridin-5-ium
C16H18NO3+ (272.12866180000003)
2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
(3Z)-3-[(4-hydroxyphenyl)methylidene]-2-methyl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2S,3R,6S)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
(3aS,4R,10aS)-2-amino-5-hydroxy-4-(hydroxymethyl)-6-imino-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purine-10,10-diol
1-(4-Hydroxy-3-methoxyphenyl)-3-(2-hydroxyphenyl)propan-1-one
4-Benzyloxy-1-trimethylsilyloxybenzene
C16H20O2Si (272.12325000000004)
3-Phenoxybenzyl alcohol, TMS derivative
C16H20O2Si (272.12325000000004)
(1R)-9-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
6-Methoxymethyl-2,3,4-trimethoxybenzyl methyl sulfide
Isopropyl 2-(N-((4S)-4-(1-methylethyl)-2-oxazolidinone-3-carbamoyl)(aminoacetate
(3-Benzyloxybicyclo[4.1.0]hept-2-en-7-yl)acetic acid methyl ester
1-(2,6-Dihydroxy-4-methoxyphenyl)-3-phenylpropan-1-one
1a,11b-Dihydro-4,9-dimethylbenz[a]anthra[3,4-b]oxirene
(RS)-norcoclaurinium
C16H18NO3 (272.12866180000003)
conjugate acid of (RS)-norcoclaurine
(2S,4R)-4-(9H-Pyrido[3,4-b]indol-1-yl)-1,2,4-butanetriol
N-(gamma-L-glutamyl)-2-naphthylamine
An L-glutamine derivative that is the amide obtained by formal condensation of the gamma-carboxy group of L-glutamic acid with the amino group of 2-naphthylamine.
(4aS,10bR)-noroxomaritidine(1+)
C16H18NO3 (272.12866180000003)
An organic cation obtained by protonation of the tertiary amino group of (4aS,10bR)-noroxomaritidine; major species at pH 7.3.
(4aR,10bS)-noroxomaritidine(1+)
C16H18NO3 (272.12866180000003)
An organic cation obtained by protonation of the tertiary amino group of (4aR,10bS)-noroxomaritidine; major species at pH 7.3.
5-Ethyluridine
5-Ethyluridine is a purine nucleoside analogue. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].