Exact Mass: 328.1401
Exact Mass Matches: 328.1401
Found 500 metabolites which its exact mass value is equals to given mass value 328.1401,
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
(2S)-4-{[(1R)-1-Carboxy-2-(1H-imidazol-4-yl)ethyl]amino}-2-[(1-carboxyethyl)amino]butanoate
Tiapride
Tiapride is a benzamide derivative with dopamine antagonist actions similar to sulpiride. It has been used as an antipsychotic and in the treatment of various movement disorders and alcoholism. D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AL - Benzamides C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist
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].
Phenylalanyltyrosine
Phenylalanyltyrosine is a dipeptide composed of phenylalanine and tyrosine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Perilloside B
Perilloside B is found in herbs and spices. Perilloside B is a constituent of perilla (Perilla frutescens). Constituent of perilla (Perilla frutescens). Perilloside B is found in herbs and spices.
3-Hydroxy-4-isopropylbenzyl alcohol 3-glucoside
3-Hydroxy-4-isopropylbenzyl alcohol 3-glucoside is a constituent of fruit of Carum ajowan (ajowan). Constituent of fruit of Carum ajowan (ajowan)
Cymorcin monoglucoside
Cymorcin monoglucoside is a constituent of the seeds of Carum copticum (ajowan) Constituent of the seeds of Carum copticum (ajowan).
Tyrosyl-Phenylalanine
Tyrosyl-Phenylalanine is a dipeptide composed of tyrosine and phenylalanine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Dictyoquinazol B
Dictyoquinazol B is found in mushrooms. Dictyoquinazol B is an alkaloid from Dictyophora indusiata. Alkaloid from Dictyophora indusiata. Dictyoquinazol B is found in mushrooms.
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)
Columbianadin
Decursinol angelate
Bis(3-methoxysalicylidene)ethylenediamine
GUAIANOLIDE
6-[(1R,2R,3S,5S)-2-[(Z)-4-Carboxybut-2-enyl]-3,5-dihydroxycyclopentyl]-4-oxohexanoic acid
(2S)-2-Amino-3-[4-[(2S)-2-amino-3-phenylpropanoyl]oxyphenyl]propanoic acid
(2S)-2-Amino-3-[3-[(2S)-2-amino-3-phenylpropanoyl]oxyphenyl]propanoic acid
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.
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
(2S,3R,4S,5S,6R)-2-[4-(3-hydroxybutyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(+/-)-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
8-hydroxycuminyl beta-D-glucopyranoside|8-Hydroxycuminyl ??-D-glucopyranoside
(1S,2R,5S,6R)-2-(4-hydroxyphenyl)-6-(3-methoxy-4-hydroxyphenyl)-3,7-dioxabicyclo[3.3.0]octane
5-(3-hydroxypropyl)-2-(2,3-dimethoxy-4-hydroxyphenyl)benzofuran
3-(beta-D-Glucopyranosyloxymethyl)-2,4,4-trimethyl-2,5-cyclohexadien-1-one
1,1,5-trimethyl-2-hydroxymethyl-(2,5)-cyclohexadien-(4)-one-O-beta-D-glucopyranoside|1,1,5-trimethyl-2-hydroxymethyl-2,5-cyclohexadien-4-one-O-beta-D-glucopyranoside
Teucvidin
Teucvidin is a natural product found in Teucrium botrys, Teucrium kotschyanum, and other organisms with data available.
(2R,3R)-1-phenyl-2,3-butanediol 2-O-beta-D-glucopyranoside|everlastoside I
(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
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-(1,5-dimethyl-3,4,8-trihydroxy-6-methoxy-7-oxabicyclo-[3,2,1]-oct-8-yl)-3-methyl-2,4pentadienoic acid
5,7-dihydroxy-2-[14-methoxy-15-propylphenyl]-4H-chromen-4-one|leucasin
5-Hydroxy-7-methoxy-2-(p-methoxyphenyl)-6,8-dimethyl-4-chromanone, (.+/-.)-
2,4-Dihydroxy-6-methylbenzoic acid 2-(3-methyl-2-butenyl)-4-hydroxyphenyl ester
(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
beta-D-glucopyranosyl 2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylate|jasminoside J
(8R)-9-hydroxycuminyl beta-D-glucopyranoside|(8R)-9-Hydroxycuminyl ??-D-glucopyranoside
8beta-methacryloyloxyguaia-3,10(14),11(13)-trien-2-one-6alpha,12-olide
11H-Dibenzo[b,e][1,4]dioxepin-11-one, 3,8-dihydroxy-1,9-dimethyl-6-(1-methylpropyl)-
4-hydroxy-6-(hydroxy(phenyl)methyl)-N-(3-methylbutyryl)nicotinamide
homocyclolongipesin 9-O-propionate|O-Propanoyl-Homocyclolongipesin
(2S,3S)-1-phenyl-2,3-butanediol 3-O-beta-D-glucopyranoside|(2S,3S)-1-Phenyl-2,3-butanediol 3-O-??-D-glucopyranoside
8beta-methacryloyloxyguaia-1(10),3,11(13)-trien-2-on-6alpha,12-olide
1-formyl-3-(2-hydroxymethyl-4-methoxyphenyl)-6-methoxy-2,4-dihydroquinazoline|dictyoquinazol B
tiapride
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AL - Benzamides C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist CONFIDENCE standard compound; INTERNAL_ID 2278 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3028
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
2-hydroxy-2-[2-oxo-2-[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)oxy]ethyl]butanedioic acid
(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)
C16H24O7_4-(3-Hydroxybutyl)phenyl beta-D-glucopyranoside
C16H24O7_beta-D-Glucopyranoside, 5-(hydroxymethyl)-2-(1-methylethyl)phenyl
C16H24O7_beta-D-Glucopyranoside, 4-hydroxy-2-methyl-5-(1-methylethyl)phenyl
2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl 3-methylbut-2-enoate
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methyl-5-propan-2-ylphenoxy)oxane-3,4,5-triol
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]
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methyl-5-propan-2-ylphenoxy)oxane-3,4,5-triol_major
(2S,3R,4S,5S,6R)-2-[4-(3-hydroxybutyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol_major
9,15-dioxo-11R-hydroxy-2,3,4,5-tetranor-prostan-1,20-dioic acid
Phe-Tyr
A dipeptide formed from L-phenylalanine and L-tyrosine residues.
Tyr-Phe
A dipeptide formed from L-tyrosine and L-phenylalanine residues.
Cymorcin monoglucoside
3-Hydroxy-4-isopropylbenzyl alcohol 3-glucoside
DICTYOQUINAZOL B
Perilloside B
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-(1H-IMIDAZOL-4-YL)PROPYL-DI(4-FLUORO-PHENYL)-METHYL ETHER HCL
(S)-3-(benzylamino)-2-(benzyloxycarbonylamino)propanoic acid
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
METHYL-2-DEOXY-5-O-(4-PHENYLBENZOYL)-ALPHA-D-THREO-PENTOFURANOSIDE
4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium tetrafluoroborate
N-[(1R)-2-Amino-1-(4-methoxyphenyl)-2-oxoethyl]-4-methoxybenzeneacetamide
tert-butyl N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]carbamate
2-(3-hydroxypropyl)-6-[(3-hydroxypropyl)amino]-1H-benz[de]isoquinoline-1,3(2H)-dione
(8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl) (E)-2-methylbut-2-enoate
(2R)-3-Carboxy-N,N,N-trimethyl-2-(propionyloxy)-1-propanaminium chloride - glycine (1:1:1)
2,3:4,5-Bis-O-(1-methylethylidene)-beta-D-fructopyranose 1-(2-methyl-2-propenoate)
diethyl 4,4-diaMino-[1,1-biphenyl]-2,2-dicarboxylate
2-(5-Butoxy-4-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
7-amino-N-cyclohexyl-1-methyl-2-thiazolo[3,2-a]benzimidazolecarboxamide
N-(4-chlorophenyl)-2-phenyl-N-piperidin-4-ylacetamide
N,N-bis(2-hydroxy-3-Methoxy-benzylidene)ethylenediaMine
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
N-[2-[2-(2-acetamidophenoxy)ethoxy]phenyl]acetamide
N-cyclohexyl-2-[[6-(2-pyridinyl)-3-pyridazinyl]thio]acetamide
2-(2-Hydroxy-biphenyl)-1h-benzoimidazole-5-carboxamidine
(2S)-4-(2,5-Difluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid
2-Amino-3-[4-Hydroxy-6-Oxo-3-(2-Phenyl-Cyclopropylimino)-Cyclohexa-1,4-Dienyl]-Propionic Acid
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
(2S)-2-(1-carboxyethylamino)-4-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]butanoic acid
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
(2S)-2-Amino-3-[4-[(2S)-2-amino-3-phenylpropanoyl]oxyphenyl]propanoic acid
7-[2-(3-carboxypropyl)-3-oxocyclopentyl]-7-hydroxy-5-oxoheptanoic acid
6-[2-[(E)-4-carboxybut-2-enyl]-3,5-dihydroxycyclopentyl]-4-oxohexanoic acid
6-methyl-2-oxo-5-[oxo-(1-phenylethylamino)methyl]-1H-pyridine-3-carboxylic acid ethyl ester
4-[[[(2-Methoxyphenyl)methylamino]-oxomethyl]amino]benzoic acid ethyl ester
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
2-Butyl-3-[(3-chlorophenyl)methyl]-5-methyl-6-imidazo[4,5-b]pyridinamine
6-(butan-2-ylthio)-1-(3,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
2-[[[2-(2-Methoxyphenyl)ethylamino]-oxomethyl]amino]benzoic acid methyl ester
(1S)-2-(1H-indol-3-yl)-1-[5-(3-methylbut-2-enylthio)-1,3,4-oxadiazol-2-yl]ethanamine
N-[(2S,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide
[(1R,2aS,8bS)-2-[(2-chlorophenyl)methyl]-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
N-[(2S,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide
N-[(2S,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide
N-[(2S,3S,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide
N-[(2R,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide
[(1S,2aS,8bS)-2-[(2-chlorophenyl)methyl]-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
N-[(2R,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide
N-[(2R,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide
N-[(2R,3S,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide
[(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.
5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-2-[(E)-4-hydroxy-3-methylbut-1-enyl]benzene-1,3-diol
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
8,8-Dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano(2,3-F)chromen-9-YL 2-ME-2-butenoate
2-Isopropyl-5-(hydroxymethyl)phenyl beta-D-glucopyranoside
2-Hydroxy-2-[2-oxo-2-[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)oxy]ethyl] butanedioic acid
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
2-Amino-3-cyano-4,8-bis(methoxymethyl)azulene-1-carboxylic acid ethyl ester
1-(4-Methoxyphenyl)-1,3-bis(methylthio)-4-(trimethylsilyl)butane
8,13-Dioxo-5,6,7,8,13,14,15,16-octahydro-6,15-methanobenzo(A)naphtho(2,3-F)cyclodecene
9,12-Dioxo-5,6,7,9,12,14,15,16-octahydro-6,15-methanobenzo(A)naphtho(2,3-F)cyclodecene
(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.
prostaglandin E2-UM
A prostanoid that is prostaglandin E2 in which the acyclic hydroxy group has been oxidised to the corresponding ketone, the methyl group has been oxidised to the corresponding carboxylic acid and the 6-carboxyhexenyl group has been oxidatively cleaved to a 2-carboxyethyl group. It is the major urinary metabolite of prostaglandin E2.
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.
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].
(2e,4e)-3-methyl-5-[(1s,2s,3r,5r,7r,8s)-2,3,8-trihydroxy-7-methoxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]penta-2,4-dienoic acid
(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
2-(2-hydroxy-5-isopropyl-4-methylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
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
2,4,4-trimethyl-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohexa-2,5-dien-1-one
(4s,8r,13r,16r)-4,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadec-11-ene-2,5,10-trione
(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
(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
3-methyl-5-[(1s,2s,3r,5r,7r,8s)-2,3,8-trihydroxy-7-methoxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]penta-2,4-dienoic acid
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (4s)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylate
2-(4-hydroxy-2-isopropyl-5-methylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
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
(8r,12r)-3,8,12,17-tetrahydroxytricyclo[12.3.1.1²,⁶]nonadeca-1(18),2(19),3,5,14,16-hexaen-9-one
(2s,3r,4s,5s,6r)-2-(2-hydroxy-5-isopropyl-4-methylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
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
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
(2s,4s)-4-(acetyloxy)-5-[(1s,3s,5r)-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-3-yl]pentan-2-yl acetate
7-{[(2r)-3,3-dimethyloxiran-2-yl]methoxy}-8-[(2r,3r)-3-(prop-1-en-2-yl)oxiran-2-yl]chromen-2-one
(3r,4s,5s,6r)-2-(2-hydroxy-6-isopropyl-3-methylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(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"}
2,3,7-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"}
2-isopropyl-5-methyl-1,4-benzenediol; 5-o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN005854","Ingredient_name": "2-isopropyl-5-methyl-1,4-benzenediol; 5-o-beta-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C16H24O7","Ingredient_Smile": "NA","Ingredient_weight": "328.36","OB_score": "NA","CAS_id": "95645-53-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8600","PubChem_id": "NA","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"}
7-hydroxythymol 3-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN013291","Ingredient_name": "7-hydroxythymol 3-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C16H24O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10763","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-hydroxycuminyl β-d-glucopyranoside
{"Ingredient_id": "HBIN013776","Ingredient_name": "8-hydroxycuminyl \u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C16H24O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9949","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(8r)-9-hydroxycuminyl β-d-glucopyranoside
{"Ingredient_id": "HBIN013895","Ingredient_name": "(8r)-9-hydroxycuminyl \u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C16H24O7","Ingredient_Smile": "CC(CO)C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9950","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
