Exact Mass: 330.1225
Exact Mass Matches: 330.1225
Found 500 metabolites which its exact mass value is equals to given mass value 330.1225
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Halofenozide
CONFIDENCE standard compound; INTERNAL_ID 863; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9143; ORIGINAL_PRECURSOR_SCAN_NO 9141 CONFIDENCE standard compound; INTERNAL_ID 863; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4630; ORIGINAL_PRECURSOR_SCAN_NO 4626 CONFIDENCE standard compound; INTERNAL_ID 863; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4611; ORIGINAL_PRECURSOR_SCAN_NO 4607 CONFIDENCE standard compound; INTERNAL_ID 863; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4638; ORIGINAL_PRECURSOR_SCAN_NO 4635 CONFIDENCE standard compound; INTERNAL_ID 863; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9111; ORIGINAL_PRECURSOR_SCAN_NO 9106 CONFIDENCE standard compound; INTERNAL_ID 863; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4651; ORIGINAL_PRECURSOR_SCAN_NO 4647 CONFIDENCE standard compound; INTERNAL_ID 863; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9131; ORIGINAL_PRECURSOR_SCAN_NO 9126 CONFIDENCE standard compound; INTERNAL_ID 863; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9092; ORIGINAL_PRECURSOR_SCAN_NO 9088 CONFIDENCE standard compound; INTERNAL_ID 863; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9069; ORIGINAL_PRECURSOR_SCAN_NO 9065 CONFIDENCE standard compound; INTERNAL_ID 863; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4674; ORIGINAL_PRECURSOR_SCAN_NO 4671 CONFIDENCE standard compound; INTERNAL_ID 863; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9073; ORIGINAL_PRECURSOR_SCAN_NO 9068 CONFIDENCE standard compound; INTERNAL_ID 863; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4661; ORIGINAL_PRECURSOR_SCAN_NO 4658 D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
(±)-threo-1-(p-Hydroxyphenyl)propylene glycol 4'-glucoside
(±)-threo-1-(p-Hydroxyphenyl)propylene glycol 4-glucoside is found in herbs and spices. (±)-threo-1-(p-Hydroxyphenyl)propylene glycol 4-glucoside is isolated from Foeniculum vulgare (fennel). Isolated from Foeniculum vulgare (fennel). (±)-threo-1-(p-Hydroxyphenyl)propylene glycol 4-glucoside is found in herbs and spices.
(±)-3-(4-Hydroxyphenyl)-1,2-propanediol 4'-O-glucoside
(±)-3-(4-Hydroxyphenyl)-1,2-propanediol 4-O-glucoside is found in herbs and spices. (±)-3-(4-Hydroxyphenyl)-1,2-propanediol 4-O-glucoside is a constituent of Foeniculum vulgare (fennel). Constituent of Foeniculum vulgare (fennel). (±)-3-(4-Hydroxyphenyl)-1,2-propanediol 4-O-glucoside is found in herbs and spices.
3-(3,4-Dihydroxyphenyl)-1-propanol 3'-glucoside
3-(3,4-Dihydroxyphenyl)-1-propanol 3-glucoside is a constituent of the fruit of Carum ajowan (ajowan). Constituent of the fruit of Carum ajowan (ajowan)
Pseudomonine
Pseudomonine is found in fishes. Pseudomonine is an alkaloid from cultures of Pseudomonas fluorescens AH2 isolated from spoiled Nile perch from Lake Victoria. Alkaloid from cultures of Pseudomonas fluorescens AH2 isolated from spoiled Nile perch from Lake Victoria. Pseudomonine is found in fishes.
Flumezapine
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
erythro-1-(4-Hydroxyphenyl)propane-1,2-diol 4-O-beta-D-glucopyranoside
(1R,2R)-1-(4-Hydroxyphenyl)propane-1,2-diol 2-O-D-glucopyranoside
beta-Hydroxy-2,6-dimethoxy-3,4-methylenedioxydihydrochalcone
2,4-Dihydroxy-2,3,6-trimethoxychalcone
2,4-Dihydroxy-2,3,6-trimethoxychalcone is a natural product found in Scutellaria discolor and Scutellaria barbata with data available.
(1R,2S)-1-(4-Hydroxyphenyl)propane-1,2-diol 2-O-beta-D-glucopyranoside
(1S,2R)-1-(4-Hydroxyphenyl)propane-1,2-diol 2-O-beta-D-glucopyranoside
threo-1-(4-Hydroxyphenyl)propane 1,2-diol 4-O-beta-D-glucopyranoside
1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
(10R)-10,11-dihydro-6,10-dihydroxy-1,4,9-trimethoxy-5H-dibenzo[a,d]cyclohepten-5-one|onosmone
2-(4-hydroxy-3-methoxyphenyl)ethyl beta-D-glucopyranoside|2-(4-hydroxy-3-methoxyphenyl)ethyl-O-beta-D-glucopyranoside
2 inverted exclamation marka,4-Dihydroxy-3 inverted exclamation marka,4 inverted exclamation marka,6 inverted exclamation marka-trimethoxychalcone
1-O-(beta-D-glucopyranosyl)-4-ethoxy-3-hydroxymethylphenol|orcinoside G
2-Propen-1-one,1-(2,4-dihydroxy-3,6-dimethoxyphenyl)-3-(2-methoxyphenyl)-,(E)-
3-(3-Hydroxy-4-methoxybenzyl)-5-hydroxy-7-methoxychroman-4-one
5-Hydroxy-3-(4-hydroxy-3-methoxybenzyl)-7-methoxychroman-4-one
2-Methoxy-3,7-dihydroxy-8,8,10-trimethyl-6,7-dihydroanthracene-1,4,5(8H)-trione
7,8-dihydrocaffeyl alcohol 4-O-beta-glucopyranoside
7-Me ether-3,5,7-Trihydroxy-3-(4-hydroxybenzyl)-6-mentyl-4-chromanone
3-(4-Methoxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one
2-(3-hydroxy-4-methoxyphenyl)ethyl 1-O-beta-D-glucopyranoside
4,4,6-Tri-Me ether-1-(4-Hydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)-1,3-propanedione
1,4-bis(2-hydroxy-4-methoxyphenyl)butanedione|1.4-Bis-(2-hydroxy-4-methoxy-phenyl)-butandion-(1.4)|1.4-Bis-<2-hydroxy-4-methoxy-phenyl>-butandion-(1.4)
3-hydroxy-4-methoxyphenethyl 3-O-beta-D-glucopyranoside
1,3,7-Trihydroxy-2-(3-hydroxy-3-methylbutyl)xanthone
9,10-dihydro-2,3,5,6-tetramethoxyphenanthrene-1,4-dione
6-Me ether,di-Ac-2-Acetyl-1,6,8-trihydroxy-3-methylnaphthalene
2-(4-hydroxyphenyl)propane-1,3-diol-1-O-beta-D-glucopyranoside
5-acetyloxy-12-hydroxy-3-methoxybibenzyl-6-carboxylic acid
(2R)-trans-2,3-diacetoxy-1-[(benzoyloxy)methyl]cyclohexa-4,6-diene|trans-2,3-diacetoxy-1-[(benzoyloxy)methyl]-cyclohexa-4,6-diene
pterolinus F
A benzoate ester that is methyl 2,5-dihydroxybenzoate substituted by a prop-2-en-1-yl group at position 4 which in turn is substituted by a 3-hydroxy-4-methoxyphenyl substituent at position 1. It has been isolated from Pterocarpus santalinus.
3-methoxy-4,4,5-trihydroxy-7-oxo-9-nor-3,7-epoxy-8,2-neolignane
rel-(1aR,2R,3R,7bS)-1a,2,3,7b-tetrahydro-2,3-dihydroxy-5-[2-(4-methoxyphenyl)ethyl]-7H-oxireno[f][1]benzopyran-7-one
(1R)-1-(2,5-dihydroxy-6-methylphenyl)ethanol 2-O-beta-D-glucopyranoside|juniperoside IX
(3S)-3,5,7-trihydroxyl-6,8-dimethyl-3-(4-hydroxylbenzyl)chroman-4-one|polygonatone C
2,6-bis(3,4-dihydroxyphenyl)-3,7-dioxabicyclo[3.3.0]octane
1-(2,5-dihydroxy-3,4,6-trimethoxyphenyl)-3-phenylprop-2-en-1-one
2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-methyl-7-methoxybenzofuran-5-carboxylic acid
5,7-Dihydroxy-3-(3,4-dimethoxybenzyl)chroman-4-one
3-(6-alpha-rhamnopyranosyl-but-7-enylidene)-4-hydroxymethyl-dihydro-furan-2-one
5,8-dihydroxy-6,10-dimethoxy-2-propyl-benzo[g]chromen-4-one
3-(3-Hydroxy-2,4-dimethoxyphenyl)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-8-carbaldehyde
13-Sulfo-dihydrosantamarine|13-sulfodihydrosantamarine
4-(1-hydroxyethyl)-2-methoxyphenyl beta-D-glucopyranoside|scrophenoside C
2-Hydroxy-2-(4-methoxybenzyl)-4,6-dimethoxybenzofuran-3(2H)-one
1beta-sulfate-5alpha,6betaH-eudesma-3-en-12,6alpha-olide|rel-(3R,3aR,5aS,6S,9aR,9bR)-3a,4,5,5a,6,7,9a,9b-octahydro-6-sulfate-3,5a,9-trimethyl-naphtho[1,2-b]furan-2-(3H)-one
1alpha-hydroperoxy-4beta,8alpha,10alpha,13-tetrahydroxyguaia-2-en-12,6alpha-olide
4,6-Dimethoxy-6-(1,1-dimethyl-2-propenyl)-5H-furo[3,2-g][1]benzopyran-5,7(6H)-dione
(3S)-2,4,5-trimethoxy-7-hydroxyisoflavanone|7-hydroxy-2,4,5-trimethoxyisoflavone
3,4-dimethoxybenzyl alcohol-7-O-beta-D-glucopyranoside|3,4-dimethoxybenzyl beta-D-glucopyranoside|3,4-dimethoxybenzyl-beta-D-glucoside
3-(3-Methoxy-4-hydroxybenzyl)-5,7-dimethoxyisobenzofuran-1(3H)-one
2(S)-5,7,3-Trihydroxy-6,8-dimethyl-5-methoxy-flavanone
4-(2-hydroxyethyl)-2-methoxyphenyl beta-D-glucopyranoside|homovanillyl alcohol 4-O-beta-D-glucopyranoside|homovanillyl alcohol-4-glycoside|Homovanillyl alcohol-4-O-glucoside
Acetylalkannin
Acetylalkannin is a natural product found in Arnebia hispidissima, Alkanna cappadocica, and other organisms with data available. Acetylalkannin (Alkannin acetate) is an isohexenylnaphthazarin pigment isolated from Arnebia euchroma with antimicrobial and cytotoxic activities[1]. Acetylalkannin (Alkannin acetate) is an isohexenylnaphthazarin pigment isolated from Arnebia euchroma with antimicrobial and cytotoxic activities[1].
7,3,4-Tri-O-methyleriodictyol
Eriodictyol 7,3,4-trimethyl ether is a natural product found in Piper umbellatum with data available.
C15H22O8_beta-D-Glucopyranoside, 4-(2-hydroxyethyl)-2-methoxyphenyl
Halofenozide
D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
C19H14N4O2_Quinazolino[3,2:1,6]pyrido[2,3-b][1,4]benzodiazepine-9,16-dione, 6,7,7a,8-tetrahydro
C15H22O8_(1S,4aR,7aS)-7-(Hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl beta-D-glucopyranoside
(2S,3R,4S,5S,6R)-2-[[(1S,4aR,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Triallyl trimellitate
CONFIDENCE standard compound; INTERNAL_ID 1277; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9826; ORIGINAL_PRECURSOR_SCAN_NO 9823 CONFIDENCE standard compound; INTERNAL_ID 1277; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9848; ORIGINAL_PRECURSOR_SCAN_NO 9846 CONFIDENCE standard compound; INTERNAL_ID 1277; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9835; ORIGINAL_PRECURSOR_SCAN_NO 9834
(R)-2-Feruloyl-1-(4-Hydroxyphenyl)-1,2-ethanediol
(±)-threo-1-(p-Hydroxyphenyl)propylene glycol 4'-glucoside
(±)-3-(4-Hydroxyphenyl)-1,2-propanediol 4'-O-glucoside
7-Hydroxy-3-(3-hydroxy-4-methoxybenzyl)-5-methoxy-4-chromanone
7-O-Methyl-3,9-dihydropunctatin
3',4'-Methylenedioxy epicatechin 5,7-dimethyl ether
3-(3,4-Dihydroxyphenyl)-1-propanol 3'-glucoside
Americanol
Americanol A
Isoamericanol
Pseudomonine
A secondary carboxamide resulting from the formal condensation of the of the carboxy group of 2-hydroxybenzoic acid with the primary amino group of (4S,5S)-4-amino-2-[2-(1H-imidazol-4-yl)ethyl]-5-methyl-1,2-oxazolidin-3-one. It is a siderophore isolated from Pseudomonas fluorescens AH2.
3-Hydroxy-5,7-dimethoxy-3,4-methylenedioxyflavan
Alosetron hydrochloride
C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist > C94726 - 5-HT3 Receptor Antagonist D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D005765 - Gastrointestinal Agents Alosetron Hydrochloride (GR 68755C) is a potent and highly selective serotonin 5-HT3 receptor antagonist. Alosetron Hydrochloride is used for the research of irritable bowel syndrome (IBS). Alosetron blocks the fast 5HT3-mediated depolarisation of guinea-pig myenteric and submucosal neurons, with IC50 at ~55 nM. Alosetron Hydrochloride attenuates the visceral nociceptive effect of rectal distension in conscious or anaesthetised dogs. Anti-inflammatory effects[1][2].
3-Oxo-1-phenyl-3-(2hydroxy-5-benzyloxyphenyl)propene
Ethanol,2,2-[[4-[2-(4-nitrophenyl)diazenyl]phenyl]imino]bis-
Velnacrine maleate
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors
5-Methoxy-2-(4-methoxy-3,5-dimethylpyridin-2-yl)methylthio)-3H-imidazo[4,5-b]pyridine
ethyl prop-2-enoate,2-methylidenebutanedioic acid,methyl 2-methylprop-2-enoate
methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate
1-Hexyl-2,3-Dimethylimidazolium Trifluoromethansulfonate
10,12-Dihydro-7H,11H-benz[de]imidazo[4,5:5,6]benzimidazo[2,1-a]isoquinoline-7,11-dione
methyl 4-[1-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate
1-Piperazinecarboxaldehyde, 4-[(2,3,4-trimethoxyphenyl)methyl]-, hydrochloride
tert-butyl ((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)carbamate
ethyl 2-amino-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate
1,1-DIPHENYLTETRAHYDRO-1H-OXAZOLO[3,4-A]PYRAZIN-3(5H)-ONE HYDROCHLORIDE
(R)-2-(2-methoxyphenyl)-2-((tetrahydro-2H-pyran-4-yl)oxy)ethyl methanesulfonate
3-[(3-nitrophenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
2-(4-Chloro-2-fluoro-5-(2-methoxyethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
methyl 2,3-dideoxy-3-fluoro-5-O-(4-phenylbenzoyl)-β-D-erythro-pentofuranoside
METHYL 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-5-(TRIFLUOROMETHYL)BENZOATE
3-Methyl-7-(phenylmethyl)-8-(propan-2-ylthio)purine-2,6-dione
3,6-Dihydroxy-2,4,4-trimethoxy-chalcone
7H-Furo[3,2-g][1]benzopyran-7-one, 5-[(1,1-dimethylallyl)oxy]-4,6-dimethoxy-
2-Hydroxy-7-methoxy-5-methyl-naphthalene-1-carboxylic acid meso-2,5-dihydroxy-cyclopent-3-enyl ester
(±)-3',4'-Methylenedioxy-5,7-dimethylepicatechin
(±)-3,4-Methylenedioxy-5,7-dimethylepicatechin is found in chinese cinnamon. (±)-3,4-Methylenedioxy-5,7-dimethylepicatechin is isolated from bark of Chinese cinnamon (Cinnamomum cassia). Isolated from bark of Chinese cinnamon (Cinnamomum cassia). (±)-3,4-Methylenedioxy-5,7-dimethylepicatechin is found in chinese cinnamon and herbs and spices.
Pre-pseudomonine
A hydroxamic acid resulting from the formal condensation of the carboxy group of (4S,5R)-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid with N-hydroxy-2-(1H-imidazol-4-yl)ethanamine. It is a biosynthetic intermediate in the synthesis of pseudomonine.
(4S)-4beta-(Salicyloylamino)-5alpha-methyl-2-[2-(1H-imidazole-4-yl)ethyl]isoxazolidine-3-one
(2S,3R,4S,5S,6R)-2-[4-(2-hydroxyethyl)-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2-Hydroxy-6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-3-yl)iminothiourea
5-Methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-[4-(methylthio)phenyl]methyl]-1,2-dihydropyrazol-3-one
2-(4-ethoxyphenyl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
9-chloro-3-[(1-ethyl-2-pyrrolidinyl)methyl]-5H-pyrimido[5,4-b]indol-4-one
2-{[(4,5-Dimethoxy-2-nitrophenethyl)imino]methyl}phenol
N-[3-[[2-(4-chlorophenyl)-1-oxoethyl]amino]phenyl]butanamide
1-(2,4-Dimethylphenyl)-3-[2-[(4-methylphenyl)thio]ethyl]thiourea
tert-butyl (2E)-2-{4-[(furan-2-ylcarbonyl)oxy]benzylidene}hydrazinecarboxylate
5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one hydrochloride
(4E)-6-Carboxy-4-[2-[2-(4-hydroxyphenyl)ethylazaniumylidene]ethylidene]-2,3-dihydro-1H-pyridine-2-carboxylate
9-methoxy-6-(2-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-ol
5-Chloroethoxy-2,6-dimethyl-3-methoxy-(6R)-((2R)-2-methylbutyryloxy)-2,4-cyclohexadien-1-one
ARNEBIN-3
Acetylshikonin is an acetate ester and a hydroxy-1,4-naphthoquinone. Acetylshikonin is a natural product found in Echium plantagineum, Lithospermum erythrorhizon, and other organisms with data available. Acetylshikonin, derived from the root of Lithospermum erythrorhizon, has anti-cancer and antiinflammation activity. Acetylshikonin is a non-selective cytochrome P450 inhibitor against all P450s (IC50 values range from 1.4-4.0 μM). Acetylshikonin is an AChE inhibitor and exhibits potent antiapoptosis activity[1][2][3]. Acetylshikonin, derived from the root of Lithospermum erythrorhizon, has anti-cancer and antiinflammation activity. Acetylshikonin is a non-selective cytochrome P450 inhibitor against all P450s (IC50 values range from 1.4-4.0 μM). Acetylshikonin is an AChE inhibitor and exhibits potent antiapoptosis activity[1][2][3].
5-Hydroxy-3-(4-hydroxybenzyl)-7,8-dimethoxy-4-chromanone
(+/-)-3-(4-Hydroxyphenyl)-1,2-propanediol 4-O-glucoside
(+/-)-threo-1-(p-Hydroxyphenyl)propylene glycol 4-glucoside
6-Hydroxy-4,5,7-trimethoxyflavanone
[5,6-bis(acetyloxy)cyclohexa-1,3-dien-1-yl]methyl benzoate
5,8-dihydroxy-6,10-dimethoxy-2-propylbenzo[h]chromen-4-one
(2e)-1-(2,4-dihydroxy-3,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
2-[(3,4-dimethoxyphenyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(3s)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-8-methoxy-6-methyl-2,3-dihydro-1-benzopyran-4-one
9-hydroxy-4,11,14-trimethyl-3,7-dioxapentacyclo[8.7.0.0¹,⁵.0⁴,⁸.0¹¹,¹⁵]heptadeca-13,15-diene-6,12,17-trione
(3s)-5-hydroxy-3-[(4-hydroxyphenyl)methyl]-7,8-dimethoxy-2,3-dihydro-1-benzopyran-4-one
methyl 7-hydroxy-2,3,3,9-tetramethyl-4,5-dioxo-2h-naphtho[1,2-b]furan-6-carboxylate
2-(hydroxymethyl)-6-{[4-(hydroxymethyl)-3ah,4h,6ah-cyclopenta[b]furan-5-yl]methoxy}oxane-3,4,5-triol
(4r)-8-(4-hydroxy-3-methoxyphenyl)-6-oxooctane-4-sulfonic acid
(3r)-7-hydroxy-3-[(4-hydroxyphenyl)methyl]-5,6-dimethoxy-2,3-dihydro-1-benzopyran-4-one
(2s)-7-hydroxy-5,8-dimethoxy-2-(2-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
4,6-dimethoxy-5-[(2-methylbut-3-en-2-yl)oxy]furo[3,2-g]chromen-7-one
[(5r,6r)-4-formyl-6-hydroxy-9-methoxy-5-methyl-5h,6h-naphtho[2,3-b]furan-3-yl]methyl acetate
6-[(acetyloxy)(phenyl)methyl]-1-(2-hydroxyethyl)-4-oxopyridine-3-carboximidic acid
{4-formyl-6-hydroxy-9-methoxy-5-methyl-5h,6h-naphtho[2,3-b]furan-3-yl}methyl acetate
(2r,3r)-2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-2,3-dihydro-1-benzopyran-4-one
3-hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
(1s,2s,4r,5r,6r,9s,12r,17r)-12-ethenyl-5-hydroxy-1,6-dimethyl-3,8,13-trioxapentacyclo[7.7.1.0²,⁴.0⁶,¹⁷.0¹¹,¹⁶]heptadeca-10,15-diene-7,14-dione
(2r,3r,4s,5s,6r)-2-{[(1r,2s)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r)-2-(2h-1,3-benzodioxol-5-yl)-5,7-dimethoxy-3,4-dihydro-2h-1-benzopyran-3-ol
(1s,2r,4r,5r,12s,14r,15r,18r)-5-ethenyl-10,15-dimethyl-3,6,13,17-tetraoxahexacyclo[8.7.1.0²,⁴.0⁴,⁹.0¹²,¹⁴.0¹⁵,¹⁸]octadec-8-ene-7,16-dione
5-(hydroxymethyl)-4-{1-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]but-2-en-1-ylidene}oxolan-3-one
(1r,4e,13r,14s)-14-hydroxy-4-methyl-8-methylidene-3,15-dioxo-2-oxabicyclo[9.3.1]pentadeca-4,11-dien-9-yn-13-yl acetate
2-{[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
4-[3-(hydroxymethyl)-7-(3-hydroxyprop-1-en-1-yl)-2,3-dihydro-1,4-benzodioxin-2-yl]benzene-1,2-diol
(1s,3s,7s,8r,9z)-10-methyl-6-methylidene-5,13-dioxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-9,11-dien-8-yl 2-methylprop-2-enoate
4-[5-(3,4-dihydroxyphenyl)-2-hydroxy-1-methoxypent-4-yn-1-yl]benzene-1,2-diol
(4s)-8-(4-hydroxy-3-methoxyphenyl)-6-oxooctane-4-sulfonic acid
(3r)-5-hydroxy-3-[(4-hydroxyphenyl)methyl]-7,8-dimethoxy-2,3-dihydro-1-benzopyran-4-one
(1'r,2'r)-1'-(4-hydroxyphenyl)propane-1',2'-diol-2'-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN003033","Ingredient_name": "(1'r,2'r)-1'-(4-hydroxyphenyl)propane-1',2'-diol-2'-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C15H22O8","Ingredient_Smile": "CC(C(C1=CC=C(C=C1)O)O)OC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10631","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1'r,2's)-1'-(4-hydroxyphenyl)propane-1',2'-diol-2'-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN003073","Ingredient_name": "(1'r,2's)-1'-(4-hydroxyphenyl)propane-1',2'-diol-2'-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C15H22O8","Ingredient_Smile": "CC(C(C1=CC=C(C=C1)O)O)OC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10632","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1's,2'r)-1'-(4-hydroxyphenyl)propane-1',2'-diol-2'-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN003197","Ingredient_name": "(1's,2'r)-1'-(4-hydroxyphenyl)propane-1',2'-diol-2'-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C15H22O8","Ingredient_Smile": "CC(C(C1=CC=C(C=C1)O)O)OC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10633","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1's,2's)-1'-(4-hydroxyphenyl)propane-1',2'-diol-2'-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN003222","Ingredient_name": "(1's,2's)-1'-(4-hydroxyphenyl)propane-1',2'-diol-2'-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C15H22O8","Ingredient_Smile": "CC(C(C1=CC=C(C=C1)O)O)OC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10634","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2r,3r)-(+)-4',5,7-trimeth oxydihydroflavonol
{"Ingredient_id": "HBIN006408","Ingredient_name": "(2r,3r)-(+)-4',5,7-trimeth oxydihydroflavonol","Alias": "(2r,3r)-(+)-4',5,7-trimethoxydihydroflavonol","Ingredient_formula": "C18H18O6","Ingredient_Smile": "COC1=CC=C(C=C1)C2C(C(=O)C3=C(C=C(C=C3O2)OC)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21893;32138","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2(s)-5,7,3'-trihydroxy-6,8-dimethyl-5'-methoxy-flavanone
{"Ingredient_id": "HBIN006760","Ingredient_name": "2(s)-5,7,3'-trihydroxy-6,8-dimethyl-5'-methoxy-flavanone","Alias": "NA","Ingredient_formula": "C18H18O6","Ingredient_Smile": "CC1=C(C2=C(C(=C1O)C)OC(CC2=O)C3=CC(=CC(=C3)OC)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21705","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(±)-3',3''-bisdemethylpinoresinol
{"Ingredient_id": "HBIN007158","Ingredient_name": "(±)-3',3''-bisdemethylpinoresinol","Alias": "NA","Ingredient_formula": "C18H18O6","Ingredient_Smile": "C1C2C(COC2C3=CC(=C(C=C3)O)O)C(O1)C4=CC(=C(C=C4)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2440","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,4-dihydroxyphenylpropanolβ-d-glucopyrano-side
{"Ingredient_id": "HBIN007423","Ingredient_name": "3,4-dihydroxyphenylpropanol\u03b2-d-glucopyrano-side","Alias": "NA","Ingredient_formula": "C15H22O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6092","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-O-methylviolanone
{"Ingredient_id": "HBIN009369","Ingredient_name": "3-O-methylviolanone","Alias": "NA","Ingredient_formula": "C18H18O6","Ingredient_Smile": "COC1=C(C(=C(C=C1)C2COC3=C(C2=O)C=CC(=C3)O)OC)OC","Ingredient_weight": "330.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32318","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10019512","DrugBank_id": "NA"}
acetylalkannin
{"Ingredient_id": "HBIN014444","Ingredient_name": "acetylalkannin","Alias": "ZINC16954710; CHEMBL112415; SCHEMBL4289438; 11-O-Acetylalkannin; Acetylalkannin","Ingredient_formula": "C18H18O6","Ingredient_Smile": "CC(=CCC(C1=CC(=C2C(=O)C=CC(=O)C2=C1O)O)OC(=O)C)C","Ingredient_weight": "330.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14132","TCMID_id": "309","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "137628887","DrugBank_id": "NA"}
bartsioside
{"Ingredient_id": "HBIN017605","Ingredient_name": "bartsioside","Alias": "NA","Ingredient_formula": "C15H22O8","Ingredient_Smile": "C1C=C(C2C1C=COC2OC3C(C(C(C(O3)CO)O)O)O)CO","Ingredient_weight": "330.33 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14438","TCMID_id": "2156","TCMSP_id": "NA","TCM_ID_id": "10173;10174","PubChem_id": "14081907","DrugBank_id": "NA"}