Exact Mass: 328.1245
Exact Mass Matches: 328.1245
Found 500 metabolites which its exact mass value is equals to given mass value 328.1245,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Decursin
Decursin is a member of coumarins. Decursin is a natural product found in Scutellaria lateriflora, Angelica glauca, and other organisms with data available. See also: Angelica gigas root (part of). D020536 - Enzyme Activators Decursinol angelate is a natural product found in Angelica glauca and Angelica gigas with data available. See also: Angelica gigas root (part of). Decursin ((+)-Decursin) is a potent anti-tumor agent. Decursin also is a cytotoxic agent and a potent protein kinase C activator. Decursin induces apoptosis and cell cycle arrest at G1 phase. Decursin decreases the expression of CDK2, CDK4, CDK6, cyclin D1 protein at 48 h. Decursin inhibits cell proliferation and migration. Decursin shows anti-tumor, anti-inflammatory and analgesic activities[1][2][3][4]. Decursin ((+)-Decursin) is a potent anti-tumor agent. Decursin also is a cytotoxic agent and a potent protein kinase C activator. Decursin induces apoptosis and cell cycle arrest at G1 phase. Decursin decreases the expression of CDK2, CDK4, CDK6, cyclin D1 protein at 48 h. Decursin inhibits cell proliferation and migration. Decursin shows anti-tumor, anti-inflammatory and analgesic activities[1][2][3][4]. Decursinol angelate, a cytotoxic and protein kinase C (PKC) activating agent from the root of Angelica gigas, possesses anti-tumor and anti-inflammatory activities[1][2].
Deltoin
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
Anisatin
ANIASATIN, also known as shikimin, is a member of the class of compounds known as terpene lactones. Terpene lactones are prenol lipids containing a lactone ring. ANIASATIN is soluble (in water) and a very weakly acidic compound (based on its pKa). Anisatin, a pure toxic substance isolated from the seeds of a Japanese plant (Illicium anisatum) acts as a picrotoxin-like, non-competitive GABA antagonist. Anisatin suppresses GABA-induced currents in a concentration-dependent manner with an EC50 of ~1.10?μM[1]. Anisatin, a pure toxic substance isolated from the seeds of a Japanese plant (Illicium anisatum) acts as a picrotoxin-like, non-competitive GABA antagonist. Anisatin suppresses GABA-induced currents in a concentration-dependent manner with an EC50 of ~1.10?μM[1].
(2S)-4-{[(1R)-1-Carboxy-2-(1H-imidazol-4-yl)ethyl]amino}-2-[(1-carboxyethyl)amino]butanoate
Dihydromelilotoside
Dihydromelilotoside is found in herbs and spices. Dihydromelilotoside is isolated from Chinese cinnamon. Isolated from Chinese cinnamon. Dihydromelilotoside is found in herbs and spices.
Acutilobin
Acutilobin is found in green vegetables. Acutilobin is a constituent of Angelica acutiloba (Dong Dang Gui). Constituent of Angelica acutiloba (Dong Dang Gui). Acutilobin is found in green vegetables. Decursinol angelate, a cytotoxic and protein kinase C (PKC) activating agent from the root of Angelica gigas, possesses anti-tumor and anti-inflammatory activities[1][2].
Ethylvanillin glucoside
Ethylvanillin glucoside is a flavouring ingredient with vanilla aroma. Flavouring ingredient with vanilla aroma
7-hydroxyolanzapine
7-hydroxyolanzapine is a metabolite of olanzapine. Olanzapine (trade name Zyprexa or in combination with fluoxetine Symbyax) is an atypical antipsychotic, approved by the FDA for the treatment of schizophrenia and bipolar disorder. Olanzapine is structurally similar to clozapine, but is classified as a thienobenzodiazepine. The olanzapine formulations are manufactured and marketed by the pharmaceutical company Eli Lilly and Company; the drug went generic in 2011. Sales of Zyprexa in 2008 were $2.2B in the US alone, and $4.7B in total. (Wikipedia)
2-hydroxymethylolanzapine
2-hydroxymethylolanzapine is a metabolite of olanzapine. Olanzapine (trade name Zyprexa or in combination with fluoxetine Symbyax) is an atypical antipsychotic, approved by the FDA for the treatment of schizophrenia and bipolar disorder. Olanzapine is structurally similar to clozapine, but is classified as a thienobenzodiazepine. The olanzapine formulations are manufactured and marketed by the pharmaceutical company Eli Lilly and Company; the drug went generic in 2011. Sales of Zyprexa in 2008 were $2.2B in the US alone, and $4.7B in total. (Wikipedia)
3,4-Dichloro-n-{[1-(dimethylamino)cyclohexyl]methyl}benzamide
Columbianadin
Decursinol angelate
GUAIANOLIDE
n-(3,4-Dichlorophenyl)-n-[(1r,2s)-2-(dimethylamino)cyclopentyl]propanamide
Zosimin
Zosimin is a member of the class of compounds known as angular furanocoumarins. Angular furanocoumarins are furanocoumarins, with a structure characterized by a furan ring angularly fused to a coumarin. Zosimin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Zosimin can be found in carrot and wild carrot, which makes zosimin a potential biomarker for the consumption of these food products. Columbianadin, a natural coumarin from Heracleum hemsleyanum, is known to have various biological activities including anti-inflammatory and anti-cancer effects. Columbianadin, a natural coumarin from Heracleum hemsleyanum, is known to have various biological activities including anti-inflammatory and anti-cancer effects.
Androsin
Androsin is a natural product found in Justicia adhatoda, Penstemon pinifolius, and other organisms with data available. Androsin is an active compound isolated from Picrorhiza Kurroa Royle ex Benth, with anti-asthmatic effects[1]. Androsin is an active compound isolated from Picrorhiza Kurroa Royle ex Benth, with anti-asthmatic effects[1].
MethylophiopogonanoneB
Methylophiopogonanone B is a natural product found in Ophiopogon japonicus and Polygonatum odoratum with data available. Methylophiopogonanone B, homoisoflavonoid, is extracted from the root of Ophiopogon japonicas, shows high antioxidant ability[1]. Methylophiopogonanone B increases GTP-Rho and acts via the Rho signaling pathway, inducing cell morphological change via actin cytoskeletal reorganization, including dendrite retraction and stress fiber formation[2]. Methylophiopogonanone B, homoisoflavonoid, is extracted from the root of Ophiopogon japonicas, shows high antioxidant ability[1]. Methylophiopogonanone B increases GTP-Rho and acts via the Rho signaling pathway, inducing cell morphological change via actin cytoskeletal reorganization, including dendrite retraction and stress fiber formation[2]. Methylophiopogonanone B, homoisoflavonoid, is extracted from the root of Ophiopogon japonicas, shows high antioxidant ability[1]. Methylophiopogonanone B increases GTP-Rho and acts via the Rho signaling pathway, inducing cell morphological change via actin cytoskeletal reorganization, including dendrite retraction and stress fiber formation[2].
Isopropylidenylacetyl-marmesin
Isopropylidenylacetyl-marmesin is a member of psoralens.
Zosimin
Columbianadin is an alpha,beta-unsaturated carboxylic ester obtained by formal condensation of the carboxy group of angelic acid with the hydroxy group of 2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-ol. It has a role as an anti-inflammatory agent, an apoptosis inducer, a hepatoprotective agent, an antineoplastic agent, a rat metabolite and a plant metabolite. It is a furanocoumarin and an alpha,beta-unsaturated carboxylic ester. It is functionally related to an angelic acid. Columbianadin is a natural product found in Heracleum candolleanum, Peucedanum palustre, and other organisms with data available. An alpha,beta-unsaturated carboxylic ester obtained by formal condensation of the carboxy group of angelic acid with the hydroxy group of 2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-ol. Columbianadin, a natural coumarin from Heracleum hemsleyanum, is known to have various biological activities including anti-inflammatory and anti-cancer effects. Columbianadin, a natural coumarin from Heracleum hemsleyanum, is known to have various biological activities including anti-inflammatory and anti-cancer effects.
Hirsutenone
(4E)-1,7-bis(3,4-dihydroxyphenyl)hept-4-en-3-one is a diarylheptanoid. Hirsutenone is a natural product found in Viscum cruciatum, Meistera muricarpa, and other organisms with data available.
Methylophiopogonanone B
Methylophiopogonanone B, homoisoflavonoid, is extracted from the root of Ophiopogon japonicas, shows high antioxidant ability[1]. Methylophiopogonanone B increases GTP-Rho and acts via the Rho signaling pathway, inducing cell morphological change via actin cytoskeletal reorganization, including dendrite retraction and stress fiber formation[2]. Methylophiopogonanone B, homoisoflavonoid, is extracted from the root of Ophiopogon japonicas, shows high antioxidant ability[1]. Methylophiopogonanone B increases GTP-Rho and acts via the Rho signaling pathway, inducing cell morphological change via actin cytoskeletal reorganization, including dendrite retraction and stress fiber formation[2]. Methylophiopogonanone B, homoisoflavonoid, is extracted from the root of Ophiopogon japonicas, shows high antioxidant ability[1]. Methylophiopogonanone B increases GTP-Rho and acts via the Rho signaling pathway, inducing cell morphological change via actin cytoskeletal reorganization, including dendrite retraction and stress fiber formation[2].
5-[3-(tert-butyl)-1-(3-methylbenzyl)-1H-pyrazol-5-yl]-1,3,4-oxadiazole-2-thiol
N3-(2-methoxyphenyl)-5-(2-phenyleth-1-ynyl)nicotinamide
1-(4-hydroxyphenyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-1-one
1-[2-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
1-[4-hydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
1??,2??-Epoxy-10??-hydroperoxy-3??,4??,8??-trihydroxyguaia-11(13)-en-12,6??-olide
(+/-)-4,6-dimethoxy-3-(4-methoxybenzyl)-3-methylbenzo[b]furan-2(3H)-one
7-{[(2R*)-3,3-dimethyloxiran-2-yl]methoxy}-8-[(2R*,3R*)-3-iso-propenyloxiran-2-yl]-2H-chromen-2-one
(3R)-5,7-dihydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydrochromen-4-one
(2R)-2-(4-O-beta-D-glucopyranosylphenyl)propionic acid
(1S,2R,5S,6R)-2-(4-hydroxyphenyl)-6-(3-methoxy-4-hydroxyphenyl)-3,7-dioxabicyclo[3.3.0]octane
(2R)-3-hydroxy-2-phenylpropionyl beta-D-glucopyranoside
5-(3-hydroxypropyl)-2-(2,3-dimethoxy-4-hydroxyphenyl)benzofuran
(2S)-2-hydroxyneomajucin|(2S)-hydroxyneomajucin|(2S*)-hydroxyneomajucin
Teucvidin
Teucvidin is a natural product found in Teucrium botrys, Teucrium kotschyanum, and other organisms with data available.
1-O-ethyl-6-(p-hydroxybenzoyl)-beta-D-glucopyranoside|Ethyl (6-O-p-hydroxybenzoyl)-??-D-glucopyranoside
(2S)-3-O-beta-D-glucopyranosyl-2-phenylpropionic acid
(4betaH)-8alpha-(2-methylpropenoyloxy)-2-oxo-1(5),10(14),1(13)-guaiatrien-12,6alpha-olide
3-Methoxy-4-[(2S,3R)-3-methyl-7-(E)-1-propenyl-2,3-dihydro-1,4-benzodioxin-2-yl]-1,2-benzenediol|3-methoxy-4-[(2S,3R)-3-methyl]-7-[(E)-1-propenyl-2,3-dihydro-1,4-benzodioxin-2-yl]-1,2-benzenodiol
(E)-caffeyl alcohol 4-O-beta-glucopyranoside|BJ-83|coniferin|Demethyl coniferin
Kadsurenin M
A neolignan that is 2,3-dihydro-1-benzofuran carrying 3,4-dimethoxyphenyl, methyl, formyl and methoxy substituents at positions 2, 3, 5 and 7 respectively.
1-phenyl-3-(2,3,4,6-tetramethoxyphenyl)prop-2-en-1-one
3,6-Bis(1H-indole-3-yl)-1,2,5,6-tetrahydropyrazine-2-one
2-[(8S)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl (Z)-2-methylbut-2-enoate
5,7-dihydroxy-2-[14-methoxy-15-propylphenyl]-4H-chromen-4-one|leucasin
1-(3,5-dihydroxy-2-methylphenyl)ethanone-5-O-beta-D-glucopyranoside|monspelioside
5-Hydroxy-7-methoxy-2-(p-methoxyphenyl)-6,8-dimethyl-4-chromanone, (.+/-.)-
1-(3,5-dihydroxyphenyl)propan-2-one 3-O-beta-glucopyranoside|grammatophylloside D
2,4-Dihydroxy-6-methylbenzoic acid 2-(3-methyl-2-butenyl)-4-hydroxyphenyl ester
1-(2-hydroxy-6-methylphenyl)-2-hydroxyethanone 2-O-beta-D-glucopyranoside|juniperoside V
(10S)-11,12-dihydroxy-6-methoxy-15,16-dinorpimara-1,5,8,11,13-pentaene-3,7-dione|11,12-dihydroxy-6-methoxy-15,16-dinor-ent-pimara-1,5,8,11,13-pentaene-3,7-dione|dryperrein C
5-(erythro-1,2-dihydroxypropyl)-2-(4-hydroxy-3-methoxyhenyl)-3-methylbenzofuran
8beta-methacryloyloxyguaia-3,10(14),11(13)-trien-2-one-6alpha,12-olide
(2S)-2-(4-hydroxyphenyl)propionyl beta-D-glucopyranoside
dihydrocinnacasside|o-hydroxyphenylpropanoyl O-beta-D-glucopyranoside
11H-Dibenzo[b,e][1,4]dioxepin-11-one, 3,8-dihydroxy-1,9-dimethyl-6-(1-methylpropyl)-
2-(1-propen-1-yl)-4-hydroxymethyl-3-furanylcarbonyl alpha-L-rhamnopyranoside
homocyclolongipesin 9-O-propionate|O-Propanoyl-Homocyclolongipesin
8beta-methacryloyloxyguaia-1(10),3,11(13)-trien-2-on-6alpha,12-olide
4-Me ether,2-O-beta-D-glucopyranoside-2,4-Dihydroxyacetophenone,
(1R,5R,6S,7R,8S,11S)-6,7,8-Triacetoxy-2,10-dioxatricyclo<6.2.1.05,11>undecan|(1R,5R,6S,7R,8S,11S)-6,7,8-Triacetoxy-2,10-dioxatricyclo[6.2.1.05,11]undecan
Anisatin
A sesquiterpene lactone with formula C15H20O8. It is a neurotoxic natural product found in plants of the family Illiciaceae. Anisatin is a natural product found in Illicium henryi, Illicium simonsii, and other organisms with data available. Anisatin is a plant toxin found in the Japanese star anise (Illicium anisatum). The Japanese star anise has been burned as incense in Japan, where it is known as shikimi, as well as used in topical folk remedies. (L1226) Anisatin, a pure toxic substance isolated from the seeds of a Japanese plant (Illicium anisatum) acts as a picrotoxin-like, non-competitive GABA antagonist. Anisatin suppresses GABA-induced currents in a concentration-dependent manner with an EC50 of ~1.10?μM[1]. Anisatin, a pure toxic substance isolated from the seeds of a Japanese plant (Illicium anisatum) acts as a picrotoxin-like, non-competitive GABA antagonist. Anisatin suppresses GABA-induced currents in a concentration-dependent manner with an EC50 of ~1.10?μM[1].
Liranaftate
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use C254 - Anti-Infective Agent > C514 - Antifungal Agent Liranaftate (Piritetrate) is a squalene epoxidase inhibitor with anti-fungicidal activities. Liranaftate can be used for the research of dermatophytes. Liranaftate also suppresses fungal element-promoted production of IL-8 and experimental inflammation[1][2][3][4].
6a,7,8-trihydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione
2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl 3-methylbut-2-enoate
2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl (Z)-2-methylbut-2-enoate
(8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl) (Z)-2-methylbut-2-enoate
(E)-1,7-bis(3,4-dihydroxyphenyl)hept-4-en-3-one
CPP_329.1415_17.9
CONFIDENCE Probable structure via diagnostic evidence, tentative identification (Level 2b); INTERNAL_ID 302
10phiC10SPC (STANDARD)
Auto-extracted from 131001_neg_02.mzML; CONFIDENCE Reference Standard (Level 1); Kindly provided by Jennifer Field, Oregon State University; Synthesis according to P.W. Taylor and G. Nickless, J. Chromotography, 178 (1979) 259-269.
SPA-10C (SAMPLE)
Auto-extracted from 131001_neg_03.mzML; CONFIDENCE Tentative identification: isomers possible (Level 3)
Paeonoside
Paeonoside is a glycoside. Paeonoside is a natural product found in Spiranthes sinensis, Spiranthes vernalis, and other organisms with data available.
C15H20O8_4-Acetyl-3-hydroxy-5-methylphenyl beta-D-glucopyranoside
C15H20O8_3-(4-Hydroxyphenyl)-3-oxopropyl beta-D-glucopyranoside
C15H20O8_2-Acetyl-5-hydroxy-3-methylphenyl beta-D-glucopyranoside
2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl 3-methylbut-2-enoate
6a,7,8-trihydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione
(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
6a,7,8-trihydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione [IIN-based on: CCMSLIB00000845038]
(8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl) (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000846617]
6a,7,8-trihydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione [IIN-based: Match]
(8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl) (Z)-2-methylbut-2-enoate [IIN-based: Match]
1-(4-hydroxyphenyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-1-one_major
Acutilobin
Decursinol angelate, a cytotoxic and protein kinase C (PKC) activating agent from the root of Angelica gigas, possesses anti-tumor and anti-inflammatory activities[1][2].
3-(4-Hydroxyphenyl)-3-oxopropyl ?-D-glucopyranoside
1-(METHYLAMINO)-4-(PHENYLAMINO)ANTHRACENE-9,10-DIONE
N-(2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)methanesulfonamide
4-(2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-ol
(5R)-3-amino-7-methyl-5,9-diphenyl-2-oxa-8,9-diazabicyclo[4.3.0]nona-3,7,10-triene-4-carbonitrile
benzyl 3-fluoro-4-(3-oxopyrrolidin-1-yl)phenylcarbamate
METHYL-2-DEOXY-5-O-(4-PHENYLBENZOYL)-ALPHA-D-THREO-PENTOFURANOSIDE
4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium tetrafluoroborate
3,4-DI(FURAN-2-YL)-1-(PYRIDIN-2-YL)-6,7-DIHYDRO-5H-CYCLOPENTA[C]PYRIDINE
2,6-BIS-(4-METHOXY-PHENYL)-TETRAHYDRO-THIOPYRAN-4-ONE
5-Chloro-1-(4-fluorophenyl)-3-(piperidin-4-yl)-1H-indole
(8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl) (E)-2-methylbut-2-enoate
2-[2-(2-Mercaptoethoxy)ethoxy]ethyl alpha-D-galactopyranoside
4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid 1,1-dimethylethyl ester
N-Methyl-1-(phenylmethyl)-1H-indole-5-ethanesulfonamide
7-amino-N-cyclohexyl-1-methyl-2-thiazolo[3,2-a]benzimidazolecarboxamide
N-(4-chlorophenyl)-2-phenyl-N-piperidin-4-ylacetamide
N-cyclohexyl-2-[[6-(2-pyridinyl)-3-pyridazinyl]thio]acetamide
2-(2-Hydroxy-biphenyl)-1h-benzoimidazole-5-carboxamidine
4-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
1-{4-[(4-Chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-one
N-methyl-N-phenyl-4-pyrimidin-5-yl-1H-indole-2-carboxamide
[(2R,3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2R)-2-hydroxy-3-phenylpropanoate
4-[(6aR)-3-amino-1-oxo-2,5,6,6a,7,9-hexahydroimidazo[1,5-f]pteridin-8-yl]benzoic acid
8,8-dimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-7-yl (2E)-2-methylbut-2-enoate
2-Methyl-2-butenoic acid 1-methyl-1-(2-oxo-8,9-dihydro-2H-furo[2,3-h]-1-benzopyran-8-yl)ethyl ester
N,3-dimethyl-5-propyl-N-(2-thiazolylmethyl)-2-benzofurancarboxamide
1,2-dideoxy-1-{2,6-dioxo-5-[(1E)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-D-ribo-hexitol
4-Acetyl-3-hydroxy-5-methylphenyl beta-D-glucopyranoside
5-Methyl-2-phenyl-4-[(3-quinolinylamino)methylidene]-3-pyrazolone
[(9R)-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl] (E)-2-methylbut-2-enoate
4-[[[2-(3-Methylphenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester
3-[(2-Chlorophenyl)methyl]-5-methyl-7-(1-pyrrolidinyl)triazolo[4,5-d]pyrimidine
6-(butan-2-ylthio)-1-(3,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
(1S)-2-(1H-indol-3-yl)-1-[5-(3-methylbut-2-enylthio)-1,3,4-oxadiazol-2-yl]ethanamine
[(1R,2aS,8bS)-2-[(2-chlorophenyl)methyl]-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
(1S,5R)-3-methylsulfonyl-7-(4-phenylphenyl)-3,6-diazabicyclo[3.1.1]heptane
[(1S,2aS,8bS)-2-[(2-chlorophenyl)methyl]-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
(1R,5S)-6-methylsulfonyl-7-(4-phenylphenyl)-3,6-diazabicyclo[3.1.1]heptane
[(1S,2aR,8bR)-2-[(2-chlorophenyl)methyl]-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
[(1R,2aR,8bR)-2-[(2-chlorophenyl)methyl]-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
2-Methylpropenoic acid (3aR)-2,3,3abeta,4,5,6,6abeta,7,9abeta,9balpha-decahydro-3,6-dimethylene-9-methyl-2,7-dioxoazuleno[4,5-b]furan-4alpha-yl ester
(-)-Demethoxylpinoresinol
A lignane that is the demethoxy derivative of (-)-pinoresinol. Isolated from Balanophora abbreviata, it exhibits inhibitory activity against nitric oxide synthase.
N-[2-[bis(trideuteriomethyl)amino]cyclohexyl]-3,4-dichloro-N-methylbenzamide
6-(3-Ethyl-5-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-2-[(E)-4-hydroxy-3-methylbut-1-enyl]benzene-1,3-diol
2-[2-(4-hydroxy-3-methoxybenzylidene)hydrazino]-2-oxo-N-(3-pyridinylmethyl)acetamide
6-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-3-(3-methylbut-2-enyl)benzene-1,2,4-triol
2-[(E)-2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]benzene-1,3,5-triol
6-(4-Ethyl-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
8,8-Dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano(2,3-F)chromen-9-YL 2-ME-2-butenoate
Dimethyl 4-((E)-cinnamoyl)-4-cyclohexene-1,2-dicarboxylate
Dimethyl (3R*,5S*,6R*)-3-phenyl-2,3,4,5,6,7-hexahydroinden-1(H)-one-5,6-dicarboxylate
Dimethyl (3R*,5S*,6S*)-3-phenyl-2,3,4,5,6,7-hexahydroinden-1(H)-one-5,6-dicarboxylate
Dimethyl trans-4-((E)-cinnamoyl)-4-cyclohexene-1,2-dicarboxylate
1-(4-Methoxyphenyl)-1,3-bis(methylthio)-4-(trimethylsilyl)butane
9-Acetoxy-4,4-ethylenedioxy-1-methoxycarbonyl-9-methyl-7-oxabicyclo(4.3.0)nonan-8-one
(1S,2R,4R,5R,6S,7R,8S,11R)-4,5,7,11-tetrahydroxy-2,7-dimethylspiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3-oxetane]-2,10-dione
Anisatin, a pure toxic substance isolated from the seeds of a Japanese plant (Illicium anisatum) acts as a picrotoxin-like, non-competitive GABA antagonist. Anisatin suppresses GABA-induced currents in a concentration-dependent manner with an EC50 of ~1.10?μM[1]. Anisatin, a pure toxic substance isolated from the seeds of a Japanese plant (Illicium anisatum) acts as a picrotoxin-like, non-competitive GABA antagonist. Anisatin suppresses GABA-induced currents in a concentration-dependent manner with an EC50 of ~1.10?μM[1].
(2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) (Z)-2-methylbut-2-enoate
alpha-L-Fucp-(1->2)-D-Man-OH
An alpha-L-fucoside resulting from the formal condensation of the hydroxy group at position 2 of D-mannitol with alpha-L-fucose.
alpha-L-Fucp-(1->3)-D-mannitol
A disaccharide that is D-mannitol in which the hydroxy group at position 3 has been converted into the corresponding alpha-L-fucoside.
3,4-Dichloro-N-[(1-dimethylaminocyclohexyl)methyl]benzamide
3,4-Dichloro-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methylbenzamide
IOX4
IOX4 is a selective HIF prolyl-hydroxylase 2 (PHD2) inhibitor with an IC50 value of 1.6 nM, induces HIFα in cells and in wildtype mice with marked induction in the brain tissue. IOX4 competes with and displaces 2-oxoglutarate (2OG) at the active site of PHD2[1].
(8r)-8-[(3s)-3-hydroperoxy-4-methylpent-4-en-1-yl]-8-methylpyrano[2,3-f]chromen-2-one
(2s,3r,3ar,7ar)-2-(2h-1,3-benzodioxol-5-yl)-7a-hydroxy-3-methyl-3a-(prop-2-en-1-yl)-3,4-dihydro-2h-1-benzofuran-7-one
6-[(4-hydroxyphenyl)methyl]-4,4-dimethyl-3,5,8-trioxatricyclo[7.4.0.0²,⁶]trideca-1(13),9,11-trien-11-ol
(9s)-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-9-yl 3-methylbut-2-enoate
(2r,6ar,10s,10as,10bs)-2-(furan-3-yl)-10-hydroxy-6a,10b-dimethyl-1h,2h,6h,10h,10ah-naphtho[2,1-c]pyran-4,7-dione
3-(3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoic acid
4,5,10,14-tetrahydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.0¹,⁵.0⁶,¹⁰]pentadecane-9,13-dione
3,14-dihydroxy-13,17,17-trimethyl-8,12-dioxapentacyclo[11.4.1.0²,¹¹.0⁴,⁹.0¹⁶,¹⁸]octadeca-2(11),3,5,9-tetraen-7-one
(2e)-3-phenyl-1-(2,3,4,6-tetramethoxyphenyl)prop-2-en-1-one
(3s)-9,9-dimethyl-2-oxo-3h,4h-pyrano[2,3-g]chromen-3-yl (2e)-2-methylbut-2-enoate
(1'r,2's,3r,4's,5's,7's,8's,11's)-4',5',7',11'-tetrahydroxy-2',7'-dimethyl-9'-oxaspiro[oxetane-3,6'-tricyclo[6.3.1.0¹,⁵]dodecane]-4,10'-dione
(1s,2r,4r,5r,9s,10r,11s,12s,13r)-2-hydroperoxy-4,11,12-trihydroxy-2,11-dimethyl-6-methylidene-8,14-dioxatetracyclo[8.4.0.0¹,¹³.0⁵,⁹]tetradecan-7-one
(1r,2s,14s)-9-hydroxy-5-(hydroxymethyl)-14-isopropoxy-1-methyl-13-oxatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadeca-4,6,8(15),9,11-pentaen-3-one
(2s,3r,4s,5s,6r)-2-{2-hydroxy-4-[(1e)-3-hydroxyprop-1-en-1-yl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
4',5',7',11'-tetrahydroxy-2',7'-dimethyl-9'-oxaspiro[oxetane-3,6'-tricyclo[6.3.1.0¹,⁵]dodecane]-4,10'-dione
5-(furan-3-yl)-6'-methyl-3'-oxaspiro[oxolane-3,7'-tricyclo[6.3.1.0⁴,¹²]dodecan]-8'(12')-ene-2,2'-dione
4a,8-dihydroxy-3-methyl-2,3,4,5,6,6a,12a,12b-octahydrotetraphene-1,7,12-trione
(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(hydroxymethyl)phenoxy]oxan-3-yl acetate
7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,7ah-cyclopenta[c]pyran-5-one
(8r,12r)-3,8,12,17-tetrahydroxytricyclo[12.3.1.1²,⁶]nonadeca-1(18),2(19),3,5,14,16-hexaen-9-one
2-[3-hydroxy-2-(3-methylbut-2-en-1-yl)benzoyl]-5-methoxybenzene-1,3-diol
(8s)-8-[(2e)-4-hydroperoxy-4-methylpent-2-en-1-yl]-8-methylpyrano[2,3-f]chromen-2-one
9-methyl-3,6-dimethylidene-2,7-dioxo-3ah,4h,5h,8h,9h,9bh-azuleno[4,5-b]furan-4-yl 2-methylprop-2-enoate
13-hydroxy-14,14,16,16-tetramethyl-2,17-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadeca-3,5,7,12-tetraene-11,15-dione
4-[(2s,3r)-3-[(2r)-2-hydroxy-4-(4-hydroxyphenyl)butyl]oxirane-2-carbonyl]phenol
1-phenyl-3-(2,3,4,5-tetramethoxyphenyl)prop-2-en-1-one
(1s,2r,4r,5r,6s,10r,11s,14r)-4,5,10,14-tetrahydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.0¹,⁵.0⁶,¹⁰]pentadecane-9,13-dione
7-[(3s)-3-(5,5-dimethyl-4-oxofuran-2-yl)butoxy]chromen-2-one
[(8r)-8-methyl-2-oxopyrano[2,3-f]chromen-8-yl]methyl 3-methylbutanoate
1-(3-methoxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone
7-{[(2r)-3,3-dimethyloxiran-2-yl]methoxy}-8-[(2r,3r)-3-(prop-1-en-2-yl)oxiran-2-yl]chromen-2-one
1β,2β-epoxy-10α-hydroperoxy-3β,4α,8β-trihydroxyguaia-11(13)-en-12,6α-olide
{"Ingredient_id": "HBIN002354","Ingredient_name": "1\u03b2,2\u03b2-epoxy-10\u03b1-hydroperoxy-3\u03b2,4\u03b1,8\u03b2-trihydroxyguaia-11(13)-en-12,6\u03b1-olide","Alias": "NA","Ingredient_formula": "C15H20O8","Ingredient_Smile": "CC1(CC(C2C(C3C14C(O4)C(C3(C)O)O)OC(=O)C2=C)O)OO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7106","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1s,2r,5s,6r)-2-(4-hydroxyphenyl)-6-(3-meth-oxy-4-hydroxyphenyl)-3,7-dioxabicyclo[3.3.0]octane
{"Ingredient_id": "HBIN003217","Ingredient_name": "(1s,2r,5s,6r)-2-(4-hydroxyphenyl)-6-(3-meth-oxy-4-hydroxyphenyl)-3,7-dioxabicyclo[3.3.0]octane","Alias": "NA","Ingredient_formula": "C19H20O5","Ingredient_Smile": "COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC=C(C=C4)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10627","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,10-dioxatricyclo[6.2.1.0 5,11 ]undecane-6,7,8-triol
{"Ingredient_id": "HBIN003523","Ingredient_name": "2,10-dioxatricyclo[6.2.1.0 5,11 ]undecane-6,7,8-triol","Alias": "NA","Ingredient_formula": "C15H20O8","Ingredient_Smile": "NA","Ingredient_weight": "328.31","OB_score": "NA","CAS_id": "103744-68-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9038","PubChem_id": "NA","DrugBank_id": "NA"}
2,3,7-trihydroxy-5-(3,4-dihydroxy-E-styryl)-6,7,8,9-tetrahydro-5H-benzocycloheptene
{"Ingredient_id": "HBIN003937","Ingredient_name": "2,3,7-trihydroxy-5-(3,4-dihydroxy-E-styryl)-6,7,8,9-tetrahydro-5H-benzocycloheptene","Alias": "NA","Ingredient_formula": "C19H20O5","Ingredient_Smile": "C1CC2=CC(=C(C=C2C(CC1O)C=CC3=CC(=C(C=C3)O)O)O)O","Ingredient_weight": "328.4 g/mol","OB_score": "13.24402525","CAS_id": "NA","SymMap_id": "SMIT02870","TCMID_id": "NA","TCMSP_id": "MOL000225","TCM_ID_id": "NA","PubChem_id": "101719320","DrugBank_id": "NA"}
3'',4''-dihydrocapnolactone
{"Ingredient_id": "HBIN007367","Ingredient_name": "3'',4''-dihydrocapnolactone","Alias": "NA","Ingredient_formula": "C19H20O5","Ingredient_Smile": "CC1CC(OC1=O)CC(=CCOC2=CC3=C(C=C2)C=CC(=O)O3)C","Ingredient_weight": "328.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5551","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "12097135","DrugBank_id": "NA"}
3-methoxy-4-[(2s,3r)-3-methyl-7-(e)-1-propen-yl-2,3-dihydro-1,4-benzodioxin-2-yl]-1,2-benzenediol
{"Ingredient_id": "HBIN008790","Ingredient_name": "3-methoxy-4-[(2s,3r)-3-methyl-7-(e)-1-propen-yl-2,3-dihydro-1,4-benzodioxin-2-yl]-1,2-benzenediol","Alias": "NA","Ingredient_formula": "C19H20O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14027","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anisatin
{"Ingredient_id": "HBIN016181","Ingredient_name": "anisatin","Alias": "NA","Ingredient_formula": "C15H20O8","Ingredient_Smile": "CC1CC(C2(C13CC(C(C24COC4=O)(C)O)OC(=O)C3O)O)O","Ingredient_weight": "328.31 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1283","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "44575426","DrugBank_id": "NA"}
