Exact Mass: 330.12
Exact Mass Matches: 330.12
Found 451 metabolites which its exact mass value is equals to given mass value 330.12,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Acetylshikonin
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].
3,6-Dihydroxy-2,4,4-trimethoxy-chalcone
4-Hydroxy-5,6,7-trimethoxyflavanone
A methoxyflavanone that is flavanone substituted by methoxy groups at positions 5, 6 and 7 and a hydroxy group at position 4.
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
(+)-Sesamin dicatechol
A furofuran that is (+)-sesamin in which both of the methylene acetals groups have been hydrolysed to afford the corresponding bis-catechol. Found as a product of (+)-sesamin in rat liver homogenate and also produced from sesamin by an enzyme (SesA) found in Sinomonas species. no. 22 growing on sesamin.
(R)-2-Feruloyl-1-(4-Hydroxyphenyl)-1,2-ethanediol
(R)-2-Feruloyl-1-(4-Hydroxyphenyl)-1,2-ethanediol is found in herbs and spices. (R)-2-Feruloyl-1-(4-Hydroxyphenyl)-1,2-ethanediol is a constituent of Coriandrum sativum (coriander) (R)-2-Feruloyl-1-(4-Hydroxyphenyl)-1,2-ethanediol is a hydroxycinnamic acid.
(±)-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.
Americanol
Constituent of Phytolacca americana (pokeberry). Americanol is found in fruits and green vegetables. Americanol is found in fruits. Americanol is a constituent of Phytolacca americana (pokeberry).
Melilotocarpan C
Melilotocarpan C is found in herbs and spices. Melilotocarpan C is from Melilotus alba (white melilot). From Melilotus alba (white melilot). Melilotocarpan C is found in herbs and spices and pulses.
5-Hydroxy-3-(4-hydroxybenzyl)-7,8-dimethoxy-4-chromanone
5-Hydroxy-3-(4-hydroxybenzyl)-7,8-dimethoxy-4-chromanone is found in herbs and spices. 5-Hydroxy-3-(4-hydroxybenzyl)-7,8-dimethoxy-4-chromanone is isolated from Muscari comosum (tassel hyacinth). Isolated from Muscari comosum (tassel hyacinth). 5-Hydroxy-3-(4-hydroxybenzyl)-7,8-dimethoxy-4-chromanone is found in herbs and spices.
7-Hydroxy-3-(3-hydroxy-4-methoxybenzyl)-5-methoxy-4-chromanone
7-Hydroxy-3-(3-hydroxy-4-methoxybenzyl)-5-methoxy-4-chromanone is found in herbs and spices. 7-Hydroxy-3-(3-hydroxy-4-methoxybenzyl)-5-methoxy-4-chromanone is a constituent of Muscari species. Constituent of Muscari subspecies 7-Hydroxy-3-(3-hydroxy-4-methoxybenzyl)-5-methoxy-4-chromanone is found in herbs and spices.
4-Hydroxy-2,3,9-trimethoxypterocarpan
4-Hydroxy-2,3,9-trimethoxypterocarpan is found in common pea. 4-Hydroxy-2,3,9-trimethoxypterocarpan is isolated from Pisum sativum (pea).
Isoamericanol A
Isoamericanol A is found in american pokeweed. Isoamericanol A is isolated from the seeds of Phytolacca americana (pokeberry). Isolated from the seeds of Phytolacca americana (pokeberry). Isoamericanol A is found in fruits and american pokeweed.
Cerasinone
Isolated from Prunus cerasus (cherry). Cerasinone is found in fruits and sour cherry. Cerasinone is found in fruits. Cerasinone is isolated from Prunus cerasus (cherry).
Aflatoxin B1 dialcohol
Aflatoxin B1 dialcohol is an aflatoxin B1 metabolite. Aflatoxins are naturally occurring mycotoxins that are produced by many species of Aspergillus, a fungus, most notably Aspergillus flavus and Aspergillus parasiticus. At least 13 different types of aflatoxin are produced in nature. Aflatoxin B1 is considered the most toxic and is produced by both Aspergillus flavus and Aspergillus parasiticus. The native habitat of Aspergillus is in soil, decaying vegetation, hay, and grains undergoing microbiological deterioration and it invades all types of organic substrates whenever conditions are favorable for its growth. Favorable conditions include high moisture content (at least 7\\%) and high temperature. Aflatoxins B1 (AFB1) are contaminants of improperly stored foods; they are potent genotoxic and carcinogenic compounds, exerting their effects through damage to DNA. They can also induce mutations that increase oxidative damage. (PMID: 17214555). Crops which are frequently affected by Aspergillus contamination include cereals (maize, sorghum, pearl millet, rice, wheat), oilseeds (peanut, soybean, sunflower, cotton), spices (chile peppers, black pepper, coriander, turmeric, ginger), and tree nuts (almond, pistachio, walnut, coconut, brazil nut). Aflatoxin B1 dialcohol is a derivative of aflatoxin B1 (AFB1) that is formed from AFB1-dihydrodiol (AFB1-dhd) by a novel aldehyde reductase (Aflatoxin B1 aldehyde reductase) (PMID: 1134261). Aflatoxin B1 aldehyde reductases (AFARs) are inducible members of the aldo-keto reductase superfamily. They convert aflatoxin B1 dialdehyde derived from the exo- and endo-8,9-epoxides into a number of reduced alcohol products that might be less capable of forming covalent adducts with proteins (PMID: 18266327). AFB1 dialdehyde does not bind to DNA but can react with protein lysine groups. There are two principal techniques that can be used to detect levels of aflatoxin in humans. One measures the AFB1-guanine adduct in the urine of subjects. The presence of this breakdown product indicates exposure to aflatoxin B1 in the past 24 hours. The second technique involves the measurement of the AFB1-albumin adduct level in the blood serum.
Americanol A
Americanol A is found in fruits. Americanol A is isolated from seeds of Phytolacca americana (pokeberry). Isolated from seeds of Phytolacca americana (pokeberry). Americanol A is found in fruits.
Dimethyl 3,4-dimethoxy-6-phenylbenzene-1,2-dicarboxylate
3'-O-Methylviolanone
A polyphenol metabolite detected in biological fluids [PhenolExplorer]
5,7,4-Trihydroxy-3-methoxy-6,8-di-C-methylflavanone
3-(3,4-Dimethoxybenzyl)-5-methoxy-7-hydroxyisobenzofuran-1(3H)-one
Eriodictyol 7,3,4-trimethyl ether
2-(2,3-dimethoxy-5-methylbenzoyl)-4-hydroxy-6-methoxybenzaldehyde
1,3,5-trihydroxy-4-(3-hydroxy-3-methylbutyl)xanthone
3,5-Dimethoxy-3-(1,1-dimethylprop-2-enyl)-3,4-dihydropsoralen-4-one
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.
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
(2E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-(2,4-dimethoxyphenyl)-2-propen-1-one|2,4-Dihydroxy-2,4,6-trimethoxy-chalcon|Cerasin
2 inverted exclamation marka,4-Dihydroxy-3 inverted exclamation marka,4 inverted exclamation marka,6 inverted exclamation marka-trimethoxychalcone
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-Me ether-3,5,7-Trihydroxy-3-(4-hydroxybenzyl)-6-mentyl-4-chromanone
3-(4-Methoxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one
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)
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
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
(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
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
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
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-(3-Methoxy-4-hydroxybenzyl)-5,7-dimethoxyisobenzofuran-1(3H)-one
2(S)-5,7,3-Trihydroxy-6,8-dimethyl-5-methoxy-flavanone
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.
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
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
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
Americanol
Americanol A
Isoamericanol
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
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
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
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.
(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
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
(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
(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)-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
(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
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
(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-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"}
