Exact Mass: 468.121
Exact Mass Matches: 468.121
Found 500 metabolites which its exact mass value is equals to given mass value 468.121
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Neocretanin
Neocretanin is found in nuts. Neocretanin is isolated from Japanese chestnut galls (Castanea crenata). Isolated from Japanese chestnut galls (Castanea crenata). Neocretanin is found in nuts.
Castamollissin
Castamollissin is found in nuts. Castamollissin is isolated from the leaves of Castanea mollissima (Chinese chestnut). Isolated from the leaves of Castanea mollissima (Chinese chestnut). Castamollissin is found in nuts.
2-({5-Chloro-2-[(2-Methoxy-4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl}amino)-N-Methylbenzamide
Apocynin A
Prim-O-glucosylcimifugin
simfibrate
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AB - Fibrates
Epigallocatechin 3-caffeate
Epigallocatechin 3-caffeate is a member of the class of compounds known as epigallocatechins. Epigallocatechins are compounds containing epigallocatechin or a derivative. Epigallocatechin is a flavan-3-ol containing a benzopyran-3,5,7-triol linked to a 3,4,5-hydroxyphenyl moiety. Thus, epigallocatechin 3-caffeate is considered to be a flavonoid lipid molecule. Epigallocatechin 3-caffeate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Epigallocatechin 3-caffeate can be found in tea, which makes epigallocatechin 3-caffeate a potential biomarker for the consumption of this food product.
Cimifugin 7-glucoside
PRIM-O-GLUCOSYLCIMIFUGIN is an organic heterotricyclic compound and an oxacycle. Prim-O-glucosylcimifugin is a natural product found in Ostericum grosseserratum, Saposhnikovia divaricata, and other organisms with data available. Prim-O-glucosylcimifugin exerts anti-inflammatory effects through the inhibition of iNOS and COX-2 expression by through regulating JAK2/STAT3 signaling. Prim-O-glucosylcimifugin exerts anti-inflammatory effects through the inhibition of iNOS and COX-2 expression by through regulating JAK2/STAT3 signaling.
Apocynin A
dichamanetin
A natural product found in Piper sarmentosum.
Catechin-4-ol 3-O-beta-D-galactopyranoside
Leucodelphinidin 3-O-alpha-L-rhamnopyranoside
Apocynin C
N-Fructosyl gamma-glutamyl-S-(1-propenyl)cysteine sulfoxide
Annotation level-3
Gyrophoric acid
Origin: Microbe, Carboxylic acids
(2-methoxy-5-hydroxymethyl-phenyl)-1-O-beta-D-(6-O-galloyl)-glucopyranoside|2-methoxy-5-hydroxymethyl-phenyl-1-O-(6-galloyl)-beta-D-glucopyranoside|2-Methoxy-5-hydroxymethyl-phenyl-1-O-(6-galloyl)-??-D-glucopyranoside
3-carboxy-6,7-dihydroxy-1-(3,4-dihydroxyphenyl)-naphthalene-9,5-O-shikimic acid ester
4-(2-{5-[(1,6-dioxaspiro[4.5]dec-3-en-2-ylidene)methyl]-2-thienyl}-2,5-dihydro-5-[(2-thienyl)methylene]-2-furyl)butanol|4-<2-<5-<(1,6-dioxaspiro<4.5>dec-3-en-2-ylidene)methyl>-2-thienyl>-2,5-dihydro-5-<(2-thienyl)methylene>-2-furyl>butanol
5-O-(6-O-galloyl)-beta-D-glucopyranosylgentisic acid|Gentisic acid 5-O-beta-D-(6-O-galloyl)glucopyranoside
1,2,3,4-Tetrahydro-4,6,9-trihydroxy-2,3-epoxy-1,2-biphenazine-4-carboxylic acid
(4-Methoxycarbonylphenyl-2,3,4-tri-O-acetyl-beta-D-glucopyranosid)-uronsaeure-methylester|<4-Methoxycarbonylphenyl-2,3,4-tri-O-acetyl-beta-D-glucopyranosid>-uronsaeure-methylester|Methyl-<4-methoxy-carbonyl-phenyl-2,3,4-tri-O-acetyl-beta-D-glucopyranosid>-uronat
7-O-alpha-L-rhamnosyl-8-[2-oxo-2H-1-benzopyran-7-(hydroxy)-6-yl]-2H-1-benzopyran-2-one|7-O-alpha-L-rhamnosyl-8-[2-oxo-2H-1-benzopyran-7-(hydroxy)-6-yl]-2H-1-benzopyran-2-one|daphjamilin
4,5-Di-O-galloyl (+)-protoquercitol|4,5-di-O-galloyl proto-quercitol|4,5-di-O-galloyl-proto-quercitol|4,5-di-O-galloylprotoquercitol
3,4-dihydroxyphenethyl alcohol 4-O-beta-D-(6-O-galloyl)-glucopyranoside|3,4-dihydroxyphenethyl alcohol 4-O-beta-D-(6-O-galloyl)glucopyranoside|4-O-(6-O-Galloyl-beta-D-glucopyranoside)-2-(3,4-Dihydroxyphenyl)ethanol|4-O-(6-O-Gulloyl-??-D-glucopuranoside)-2-(3,4-Dihydroxyphenyl)ethanol
3-Hydroxy,6-O-(3,4,5-trihydroxybenzoyl)-Salidroside|6-O-(3,4,5-Trihydroxybenzoyl)-2-(3,4-Dihydroxyphenyl)ethyl beta-D-glucopy-ranoside
2-[4-(toluene-4-sulfonylamino)-anilino]-naphthalene-1-sulfonic acid|2-[4-(Toluol-4-sulfonylamino)-anilino]-naphthalin-1-sulfonsaeure
(4S,8R,9S)-4-(3,4-dihydroxyphenyl)-8-(3,4,5-trihydroxyphenyl)-3,4,9,10-tetrahydro-5,9-dihydroxy-2H,8H-benzo[1,2-b:3,4-b]dipyran-2-one|sclerophynin A
3-(8,9,9-Trimethoxy-9H-benzo[de][1,6]naphthyridine-3-yl)-8-methoxy-9H-benzo[de][1,6]naphthyridine-9-one
1-(3,4-dihydroxyphenyl)-6-(syringoyl)-beta-D-glucopyranose|dunnianoside G
6-(8,9,9-Trimethoxy-9H-benzo[de][1,6]naphthyridine-3-yl)-8-methoxy-9H-benzo[de][1,6]naphthyridine-9-one
threo-1-(4-hydroxy-2-methoxyphenyl)-2-(2,4-dihydroxy-phenyl)-1,3-propanediol-4-O-?-D-glucopyranoside
1,2-bis(4-hydroxy-3-methoxyphenyl)-1,3-propandiol 4-O-beta-D-glucopyranoside|1-(4-O-beta-glucosyl-2-hydroxyphenyl)-2-(2-hydroxy-4-methoxyphenyl)-1,3-propanediol|myriophylloside G|threo-1,2-bis(4-hydroxy-3-methoxyphenyl)-1,3-propandiol 4-O-beta-D-glucopyranoside|threo-2,3-bis(4-hydroxy-3-methoxyphenyl)-3-ethoxypropan-1-ol
1beta,9alpha-di(3-furanoyloxy)-2,8-dioxo-3-enedihydro-beta-agarofuran
6-O-beta-D-glucopyranosyl-5-methoxy-7-phenyl-3H-benzo[de]isochromen-1-one|haemodorose
6-O-(6?-O-phydroxybenzoyl)-beta-D-glucopyranosyl-des-p-hydroxybenzoyl-3-deoxycatalpin
1,8-dihydroxy-3,7-dimethoxy-4-O-[3-methyl-4-(3-methyl-2H,5H-2-oxofuran-5-yl)-2-butenyl]xanthone
beta,2,3,4,4,6-hexahydroxy-alpha-(alpha-L-rhamnopyranosyl)dihydrochalcone
5-hydroxyaiphanol|5-{(E)-2-[(2R,3R)-8-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydrobenzo[b][1,4]dioxin-6-yl]vinyl}benzene-1,3-diol
13-hydroxykompasinol A|{(3/3a-trans,3a/8a-cis,8/8a-trans)-5,7-dihydroxy-3-(3,4,5-trihydroxyphenyl)-8-(4-hydroxy-3,5-dimethoxyphenyl)-3,3a,8,8a-tetrahydro-1H-2-oxacyclopenta[a]indene}
Pelargonidin 3-Galactoside
Pelargonidin 3-galactoside is an anthocyanidin glycoside.
Callistephin
Pelargonidin 3-O-beta-D-glucoside chloride is a member of the class of anthocyanin chlorides that has pelargonidin 3-O-beta-D-glucoside as the cationic counterpart. It contains a pelargonidin 3-O-beta-D-glucoside. Callistephin (Pelargonidin 3-O-glucoside) chloride is an anthocyanin that can be found in strawberries and chokeberries[1]. Callistephin (Pelargonidin 3-O-glucoside) chloride is an anthocyanin that can be found in strawberries and chokeberries[1].
[(2R,3S,4S,5S)-3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-hydroxy-4-methoxy-2,5-diphenylphenoxy)oxane-2-carboxylic acid
Prim-O-glucosylcimifugin
Prim-O-glucosylcimifugin exerts anti-inflammatory effects through the inhibition of iNOS and COX-2 expression by through regulating JAK2/STAT3 signaling. Prim-O-glucosylcimifugin exerts anti-inflammatory effects through the inhibition of iNOS and COX-2 expression by through regulating JAK2/STAT3 signaling.
ginnalin A
D007004 - Hypoglycemic Agents > D065089 - Glycoside Hydrolase Inhibitors D004791 - Enzyme Inhibitors
Ala Cys Glu Phe
Ala Cys Phe Glu
Ala Glu Cys Phe
Ala Glu Phe Cys
Ala Phe Cys Glu
Ala Phe Glu Cys
Cys Ala Glu Phe
Cys Ala Phe Glu
Cys Cys Asp Glu
Cys Cys Glu Asp
Cys Cys Phe Pro
Cys Cys Ile Met
Cys Cys Leu Met
Cys Cys Met Ile
Cys Cys Met Leu
Cys Cys Pro Phe
Cys Asp Cys Glu
Cys Asp Glu Cys
Cys Asp Met Thr
Cys Asp Thr Met
Cys Glu Ala Phe
Cys Glu Cys Asp
Cys Glu Asp Cys
Cys Glu Phe Ala
Cys Glu Met Ser
Cys Glu Ser Met
Cys Phe Ala Glu
Cys Phe Cys Pro
Cys Phe Glu Ala
Cys Phe Pro Cys
Cys Ile Cys Met
Cys Ile Met Cys
Cys Leu Cys Met
Cys Leu Met Cys
Cys Met Cys Ile
Cys Met Cys Leu
Cys Met Asp Thr
Cys Met Glu Ser
Cys Met Ile Cys
Cys Met Leu Cys
Cys Met Ser Glu
Cys Met Thr Asp
Cys Pro Cys Phe
Cys Pro Phe Cys
Cys Pro Ser Tyr
Cys Pro Tyr Ser
Cys Ser Glu Met
Cys Ser Met Glu
Cys Ser Pro Tyr
Cys Ser Tyr Pro
Cys Thr Asp Met
Cys Thr Met Asp
Cys Tyr Pro Ser
Cys Tyr Ser Pro
Asp Cys Cys Glu
Asp Cys Glu Cys
Asp Cys Met Thr
Asp Cys Thr Met
Asp Asp Gly Tyr
Asp Asp Tyr Gly
Asp Glu Cys Cys
Asp Phe Gly Met
Asp Phe Met Gly
Asp Gly Asp Tyr
Asp Gly Phe Met
Asp Gly Met Phe
Asp Gly Tyr Asp
Asp Met Cys Thr
Asp Met Phe Gly
Asp Met Gly Phe
Asp Met Thr Cys
Asp Thr Cys Met
Asp Thr Met Cys
Asp Tyr Asp Gly
Asp Tyr Gly Asp
Glu Ala Cys Phe
Glu Ala Phe Cys
Glu Cys Ala Phe
Glu Cys Cys Asp
Glu Cys Asp Cys
Glu Cys Phe Ala
Glu Cys Met Ser
Glu Cys Ser Met
Glu Asp Cys Cys
Glu Phe Ala Cys
Glu Phe Cys Ala
Glu Met Cys Ser
Glu Met Ser Cys
Glu Ser Cys Met
Glu Ser Met Cys
Phe Ala Cys Glu
Phe Ala Glu Cys
Phe Cys Ala Glu
Phe Cys Cys Pro
Phe Cys Glu Ala
Phe Cys Pro Cys
Phe Asp Gly Met
Phe Asp Met Gly
Phe Glu Ala Cys
Phe Glu Cys Ala
Phe Gly Asp Met
Phe Gly Met Asp
Phe Met Asp Gly
Phe Met Gly Asp
Phe Pro Cys Cys
Gly Asp Asp Tyr
Gly Asp Phe Met
Gly Asp Met Phe
Gly Asp Tyr Asp
Gly Phe Asp Met
Gly Phe Met Asp
Gly Met Asp Phe
Gly Met Phe Asp
Gly Met Met Met
Gly Tyr Asp Asp
Ile Cys Cys Met
Ile Cys Met Cys
Ile Met Cys Cys
Leu Cys Cys Met
Leu Cys Met Cys
Leu Met Cys Cys
Met Cys Cys Ile
Met Cys Cys Leu
Met Cys Asp Thr
Met Cys Glu Ser
Met Cys Ile Cys
Met Cys Leu Cys
Met Cys Ser Glu
Met Cys Thr Asp
Met Asp Cys Thr
Met Asp Phe Gly
Met Asp Gly Phe
Met Asp Thr Cys
Met Glu Cys Ser
Met Glu Ser Cys
Met Phe Asp Gly
Met Phe Gly Asp
Met Gly Asp Phe
Met Gly Phe Asp
Met Gly Met Met
Met Ile Cys Cys
Met Leu Cys Cys
Met Met Gly Met
Met Met Met Gly
Met Ser Cys Glu
Met Ser Glu Cys
Met Thr Cys Asp
Met Thr Asp Cys
Pro Cys Cys Phe
Pro Cys Phe Cys
Pro Cys Ser Tyr
Pro Cys Tyr Ser
Pro Phe Cys Cys
Pro Ser Cys Tyr
Pro Ser Tyr Cys
Pro Tyr Cys Ser
Pro Tyr Ser Cys
Ser Cys Glu Met
Ser Cys Met Glu
Ser Cys Pro Tyr
Ser Cys Tyr Pro
Ser Glu Cys Met
Ser Glu Met Cys
Ser Met Cys Glu
Ser Met Glu Cys
Ser Pro Cys Tyr
Thr Cys Asp Met
Thr Cys Met Asp
Thr Asp Cys Met
Thr Asp Met Cys
Thr Met Cys Asp
Thr Met Asp Cys
Tyr Asp Asp Gly
Tyr Asp Gly Asp
Tyr Gly Asp Asp
Lactococcin
Castamollissin
Neocretanin
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]glycylglycylglycylglycine
Bis(1,3-dithian-2-ylmethyl) 1,6-hexanediylbiscarbamate
Benzenesulfonic acid,2-[(2,7-dihydro-3-methyl-2,7-dioxo-3H-naphtho[1,2,3-de]quinolin-6-yl)amino]-5-methyl-,sodium salt (1:1)
4-Nitrophenyl2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-a-D-glucopyranoside
[(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-(4-nitrophenoxy)oxan-2-yl]methyl acetate
TERT-BUTYL2-(4-(PYRIDIN-2-YL)BENZYL)HYDRAZINECARBOXYLATE
(1R)-1-C-(4-Chloro-3-{4-[(3S)-tetrahydro-3-furanyloxy]benzyl}phenyl)-D-glucitol
Methyl 1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-5-C-(hydroxymethyl)-alpha-D-xylo-hexopyranoside
2-Nitrophenyl2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-a-D-glucopyranoside
(2R)-2-Deoxy-2-fluoro-2-methyluridine 3,5-dibenzoate
(r)-(+)-2-diphenylphosphino-2-methoxy-1,1-binaphthyl
3-Pyridinesulfonamide, 5-(5-phenyl-4-((2-pyridinylmethyl)amino)-2-quinazolinyl)-
Fosmanogepix
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C254 - Anti-Infective Agent > C514 - Antifungal Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Parsaclisib hydrochloride
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
1,4-Bis[(4-methoxy-2-methylphenyl)sulfonyl]-1,4-diazepane
1-[3-(3,5-Dinitrobenzoylamino)butyl]-2-methyl-1H-indole-3-carboxylic acid ethyl ester
N-({6-[(4-Cyanobenzyl)oxy]naphthalen-2-YL}sulfonyl)-D-glutamic acid
5-hydroxy-4-(7-methoxy-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2H)-one
simfibrate
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AB - Fibrates
Callistephin chloride
Pelargonidin 3-galactoside is a member of the class of compounds known as anthocyanidin-3-o-glycosides. Anthocyanidin-3-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Pelargonidin 3-galactoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Pelargonidin 3-galactoside can be found in a number of food items such as fruits, gooseberry, vaccinium (blueberry, cranberry, huckleberry), and black chokeberry, which makes pelargonidin 3-galactoside a potential biomarker for the consumption of these food products. Callistephin (Pelargonidin 3-O-glucoside) chloride is an anthocyanin that can be found in strawberries and chokeberries[1]. Callistephin (Pelargonidin 3-O-glucoside) chloride is an anthocyanin that can be found in strawberries and chokeberries[1].
(2S)-2-[[2-[2-oxo-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3H-indol-3-yl]acetyl]amino]butanedioic acid
3-(2,5-dimethoxyphenyl)-6-[4-methoxy-3-(3-oxolanyloxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
4-(Trifluoromethyl)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
3-[(2-chlorophenyl)methyl]-5-[1-(1-oxo-2-thiophen-2-ylethyl)-4-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one
3-(Trifluoromethyl)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester
2-amino-N-(3-ethoxypropyl)-1-(4-sulfamoylphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide
diethyl 5-[[2-(furan-2-carbonylamino)benzoyl]oxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate
(E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(2-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
(2Z)-2-[3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-4-oxo-1,3-benzothiazin-2-ylidene]acetonitrile
1-{3-[3-(2-Chloro-benzyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-piperidin-1-yl}-2-thiophen-2-yl-ethanone
2-[[(6-ethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester
2-[[3-[2-(dimethylamino)ethyl]-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl]thio]-N-(3-methoxyphenyl)acetamide
[(3aS,4R,9bS)-1-(3-fluorophenyl)sulfonyl-8-(2-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
[(3aR,4S,9bR)-1-(3-fluorophenyl)sulfonyl-8-(2-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
1-(6-Methylpyridin-2-yl)-5-(3-phenoxyphenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione
(1R,2R,5S,6S,7S)-2-(Benzylcarbamoyl)-3-[3-chloro-2-(hydroxymethyl)phenyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
2,2,5,5,7,7,10,10,12,12,15,15-Dodecamethyl-1,6,11-trioxa-2,5,7,10,12,15-hexasila-3,8,13-cyclopentadecatriyne
2-(4-Hydroxyphenyl)ethyl 2,3,4,6-tetra-O-acetyl-alpha-(D)-glucopyranoside
(3R)-9-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]-3,5,8-trihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
(3R)-9-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]-3,6,8-trihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
TAE226(NVP-TAE226)
2-[3-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-4-oxo-1,3-benzothiazin-2-ylidene]acetonitrile
Lp-PLA2-IN-1
Lp-PLA2-IN-1 is a potent Lipoprotein-associated phospholipase A2 (Lp-PLA2) inhibitor. Lp-PLA2-IN-1 has the potential for atherosclerosis, Alzheimer's disease research[1].
SRT 2183
SRT 2183 is a selective Sirtuin-1 (SIRT1) activator with an EC1.5 value of 0.36 μM[1]. SRT 2183 induces growth arrest and apoptosis, concomitant with deacetylation of STAT3 and NF-κB, and reduction of c-Myc protein levels[2].
Ulixertinib (hydrochloride)
Ulixertinib hydrochloride (BVD-523 hydrochloride) is a potent, orally active, highly selective, ATP-competitive and reversible covalent inhibitor of ERK1/2 kinases, with an IC50 of <0.3 nM against ERK2. Ulixertinib hydrochloride inhibits the phosphorylated ERK2 (pERK) and downstream kinase RSK (pRSK) in an A375 melanoma cell line[1][2].
2-hydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl]oxy}benzoic acid
5-{2-[8-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethenyl}benzene-1,3-diol
(4r,5r,14r)-14-(3,4-dihydroxyphenyl)-5,8-dihydroxy-4-(3,4,5-trihydroxyphenyl)-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-12-one
(3s)-6-hydroxy-3-methyl-8-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydro-2h-tetraphene-1,7,12-trione
[(2r,3s,4s,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
4-hydroxy-19-methoxy-2,15-dioxapentacyclo[22.2.2.1³,⁷.1¹⁰,¹⁴.0¹⁶,²¹]triaconta-1(26),3(30),4,6,10,12,14(29),16(21),18,24,27-undecaene-17,20-dione
(1's,2r,5's,6'r,12's)-7,12',14-trihydroxy-5'-methoxy-3,4',8',10-tetraoxaspiro[tetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadecane-2,3'-tricyclo[4.3.3.0¹,⁶]dodecane]-1(14),4,6,8(16),11(15),12-hexaene-9,9'-dione
4-hydroxy-3-methyl-8-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-2h-tetraphene-1,7,12-trione
(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({5-methoxy-4-phenyl-[1,1'-biphenyl]-6-yl}oxy)oxane-2-carboxylic acid
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[2-hydroxy-5-(2-hydroxyethyl)phenoxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
(1s,4ar,5r,7s,7as)-7-hydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-5-yl 4-hydroxybenzoate
{6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3,4,5-trihydroxybenzoate
2,3,6-trihydroxy-4-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate
(1r,4s,5s,6r)-5,6-bis(acetyloxy)-4-[(benzoyloxy)methyl]-4-hydroxycyclohex-2-en-1-yl benzoate
(2z,4r,7s,8r,9r,11s)-7-(chloromethyl)-7-hydroxy-2,11-dimethyl-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl (2e)-4-(acetyloxy)-2-methylbut-2-enoate
5-(chloromethyl)-5'-(furan-3-yl)-3,5-dihydroxy-2-methyl-2',4,6-trioxo-tetrahydro-2h-spiro[naphthalene-1,3'-oxolan]-4a-ylmethyl acetate
(2r,3r,4s,5s)-3-hydroxy-2-(hydroxymethyl)-5-(3,4,5-trihydroxybenzoyloxy)oxan-4-yl 3,4,5-trihydroxybenzoate
7-hydroxy-7'-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-[6,8'-bichromene]-2,2'-dione
(2r,3r)-7,9-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4,5-trioxatetraphen-10-one
3-carboxy-6,7-dihydroxy-1-(3',4'-dihydroxy-phenyl)-naphthalene-9,5''-o-shikimicacidester
{"Ingredient_id": "HBIN008378","Ingredient_name": "3-carboxy-6,7-dihydroxy-1-(3',4'-dihydroxy-phenyl)-naphthalene-9,5''-o-shikimicacidester","Alias": "NA","Ingredient_formula": "C24H20O10","Ingredient_Smile": "C1C(C(C(C=C1C(=O)O)O)O)OC(=O)C2=CC(=C3C=C(C(=CC3=C2)O)O)C4=CC(=C(C=C4)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3168","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-o-(4-hydroxybenzoyl)-ajugol
{"Ingredient_id": "HBIN012584","Ingredient_name": "6-o-(4-hydroxybenzoyl)-ajugol","Alias": "NA","Ingredient_formula": "C22H28O11","Ingredient_Smile": "CC1(CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C4=CC=C(C=C4)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9818","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-O-p-hydroxybenzoylajugol
{"Ingredient_id": "HBIN012711","Ingredient_name": "6-O-p-hydroxybenzoylajugol","Alias": "AC1O3DGA; 6-o-p-hydroxybenzoyl ajugol; [(1S,4aR,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] 4-hydroxybenzoate; 6-O-p-Hydroxybenzoyl ajugol","Ingredient_formula": "C22H28O11","Ingredient_Smile": "CC1(CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C4=CC=C(C=C4)O)O","Ingredient_weight": "468.4 g/mol","OB_score": "4.531761025","CAS_id": "NA","SymMap_id": "SMIT05758;SMIT06073;SMIT19243","TCMID_id": "31156","TCMSP_id": "MOL003728;MOL004098","TCM_ID_id": "NA","PubChem_id": "14396661","DrugBank_id": "NA"}
aceritannin
{"Ingredient_id": "HBIN014374","Ingredient_name": "aceritannin","Alias": "NA","Ingredient_formula": "C20H20O13","Ingredient_Smile": "C1C(C(C(C(O1)COC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "95","TCMSP_id": "NA","TCM_ID_id": "7238;24378","PubChem_id": "NA","DrugBank_id": "NA"}