Exact Mass: 310.137
Exact Mass Matches: 310.137
Found 500 metabolites which its exact mass value is equals to given mass value 310.137,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pentaporphyrin I
Pentaporphyrin I is a porphyrin intermediate detected in liver, kidney and erythrocytes (PubMed ID 8803328 ).
7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin
Mannopine
A hexitol derivative that is D-mannitol in which the hydroxy group at position 1 is replaced by the alpha-amino group of L-glutamine. It is produced in crown gall tumours induced in a wide range of dicotyledenous plants by Agrobacterium tumefaciens.
Moracin C
Moracin C is a member of benzofurans. Moracin C is a natural product found in Morus mesozygia, Morus alba var. multicaulis, and other organisms with data available. Isolated from Morus alba (white mulberry) infected with Fusarium solani. Moracin C is found in mulberry and fruits. Moracin C is found in fruits. Moracin C is isolated from Morus alba (white mulberry) infected with Fusarium solani. Moracin C, a natural product, is an anti-inflammatory agent. Moracin C inhibits LPS-activated reactive oxygen species (ROS) and nitric oxide (NO) release from cells[1]. Moracin C, a natural product, is an anti-inflammatory agent. Moracin C inhibits LPS-activated reactive oxygen species (ROS) and nitric oxide (NO) release from cells[1].
Hydroxytanshinone
Hydroxytanshinone is an abietane diterpenoid. Hydroxytanshinone is a natural product found in Salvia przewalskii and Salvia sclarea with data available. Minor constituent of Salvia sclarea (clary sage). Hydroxytanshinone is found in tea, alcoholic beverages, and herbs and spices. Hydroxytanshinone is found in alcoholic beverages. Hydroxytanshinone is a minor constituent of Salvia sclarea (clary sage).
Desloratadine
Desloratadine is a second generation, tricyclic antihistamine that which has a selective and peripheral H1-antagonist action. It is the active descarboethoxy metabolite of loratidine (a second generation histamine). Desloratidine has a long-lasting effect and does not cause drowsiness because it does not readily enter the central nervous system. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Desloratadine (Sch34117) is the orally active major metabolite of the nonsedating H1-antihistamine Loratadine. Desloratadine is a selective H1-receptor antagonist that has anti-allergic and anti-inflammatory activities[1][2]. Desloratadine (Sch34117) is the orally active major metabolite of the nonsedating H1-antihistamine Loratadine. Desloratadine is a selective H1-receptor antagonist that has anti-allergic and anti-inflammatory activities[1][2].
N-Desmethylcitalopram
N-Desmethylcitalopram is only found in individuals that have used or taken Citalopram.N-Desmethylcitalopram is a metabolite of Citalopram. N-desmethylcitalopram belongs to the family of Phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
Bifonazole
Bifonazole is only found in individuals that have used or taken this drug. It is an azole antifungal drug. [Wikipedia]Bifonazole works by inhibiting the production of a substance called ergosterol, which is an essential component of fungal cell membranes.It acts to destabilize the fungal cyctochrome p450 51 enzyme (also known as Lanosterol 14-alpha demethylase). This is vital in the cell membrance structure of the fungus. Its inhibition leads to cell lysis. The disruption in production of ergosterol disrupts the cell membrane and causes holes to appear. The cell membranes of fungi are vital for their survival. They keep unwanted substances from entering the cells and stop the contents of the cells from leaking out. As bifonazole causes holes to appear in the cell membranes, essential constituents of the fungal cells can leak out. This kills the fungi. D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
Artocarbene
Artocarbene is found in fruits. Artocarbene is a constituent of Artocarpus incisus (breadfruit)
Moracin N
Moracin N is found in fruits. Moracin N is a constituent of the leaves of Morus alba (white mulberry) (famine food). Constituent of the leaves of Morus alba (white mulberry) (famine food). Moracin N is found in mulberry and fruits.
N-(Dimethylamino)methylene-9-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)guanine
Delgocitinib
Lersivirine
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
Porphycene
3-(2,4-Dimethyl-5-(2-oxo-1,2-dihydroindol-3-ylidenemethyl)-1H-pyrrol-3-yl)propionic acid
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
Tanshinone IIb
Przewaquinone A
Przewaquinone A is a natural product found in Salvia densiflora, Salvia miltiorrhiza, and other organisms with data available.
Obolactone
A pyranone isolated from the trunk barks of Cryptocarya obovata and has been shown to exhibit cytotoxicity against the KB cell line.
6-Hydroxy-2-(2-phenylethyl)-chromone6-Me ether3-methoxy
3-O-alpha-L-Rhamnopyranosyl-L-rhamnose|alpha-Pyranose-form-3-O-alpha-L-Rhamnopyranosyl-L-rhamnose
1,2-Dihydro-(Z,Z)-1,14-Diisothiocyanato-1,13-tetradecadiene
12-Oxa-9,20-cyclo-9,10-secoabieta-1,5,8,10(20),13-pentene-3,7,11-trione
(E)-cinnamyl (E)-isoferulate|(E)-cinnamyl-(E)-isoferulate|cinnamyl isoferulate
2,3-dihydroxy-2-(2-hydroxy-4-methyl-5-methoxyphenyl)propyl tiglate
3-(methoxycarbonyl)-2,4-diphenylcyclobutanecarboxylic acid
Isobutyric acid 2-hydroxy-2-[2-hydroxy-4-(acetoxymethyl)phenyl]propyl ester
2-(2-hydroxy-4-methoxyphenyl)-7-methoxy-5-(E)-propenylbenzofuran|Toltecol
1beta,4alpha-dihydroxy-2alpha,3alpha-epoxy-8beta-methoxy-eudesma-7(11)-en-8alpha,12-olide
1-deoxy-1-<(S)-2-(3-pyridyl)-1-pyrrolidinyl>-beta-D-fructopyranose|1-deoxy-1-[(S)-2-(3-pyridyl)-1-pyrrolidinyl]-beta-D-fructopyranose
3alpha-Hydroxytanshinone IIA|3??-Hydroxytanshinone IIA
Me glycoside-alpha-Pyranose-4-O-alpha-L-Rhamnopyranosyl-D-xylose
3-(Acetyloxy)-2-hydroxy-2-(2-hydroxy-4-methylphenyl)propyl 2-methylpropanoate #
2-prenyl-3,4-dihydroxy-5-methoxystilbene|3,4-dihydroxy-5-methoxy-2-prenylstilbene|5-Me ether-3,4,5-Trihydroxy-2-prenylstilbene
Anolignan A
A lignan that consists of buta-1,3-diene substituted by a 2,4-dihydroxybenzyl group at position 2 and a 1,3-benzodioxol-5-ylmethyl group at position 3. It is isolated from the ground stems of Anogeissus acuminata and exhibits anti-HIV activity by inhibiting HIV-1 reverse transcriptase enzyme.
(2,3-trans-3,4-trans)-3,4-Dimethoxy-(2,3:7,8)-furanoflavan
fusarentin 4,5-dimethyl ether|fusarentin 6,7-dimethyl ether|Fusarentin-dimethylether
9-Tigloyl,2-Me ether-p-Mentha-1,3,5-triene-2,5,8,9,10-pentol
1-(1-2-S-Nornicotino)-1-deoxy-beta-D-fructofuranose
5-hydroxy-6-(1,1-dimethylallyl)oroselone|Hortiolon
10beta-methoxy-1alpha,11beta,13-tetrahydrolactucin
1,4-Naphthalenedione,2-(3,7-dimethyl-2,6-octadien-1-yl)-3-hydroxy-
3-Methyl-6-hydroxy-8-(beta-hydroxyphenethyl)-2,5-dihydro-1-benzooxepin-5-one
5-methoxy-6,8,8-trimethyl-2-phenylchromene-4,7-dione|5-methoxydasytrichone|5-methoxydesmosdomutin
(4E,6E)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-hepta-4,6-dien-3-one|1-(4-hydroxyphenyl)-7-(3,4-dihydroxyphenyl)-hepta-(4E,6E)-4,6-dien-3-one
(E)-2-methylbut-2-ene-1,4-diyl dibenzoate|uvaridacane A
3-(2-Phenyl-2-oxoethyl)-4-(3-methyl-2-butenyl)-5-methoxyphenol
(E)-3,5-dimethoxy-4-[6-(prop-1-enyl)benzofuran-2-yl]phenol
2,2?-oxybis (4-allyl-1-methoxybenzene)|biseugenol B
7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one
4,5,6a,7,7a,11a-hexahydro-3,8,8-trimethyl-6a,11a-(epoxymethano)phenanthro(10,1-bc)pyran-9(8H)-one|4,5,6a,7,7a,11a-hexahydro-3,8,8-trimethyl-6a,11a-(epoxymethano)phenanthro<10,1-bc>pyran-9(8H)-one|7,16:7,20-Diepoxy-1,8,11,13-cleistanthatetraen-3-one
(E)-5-(6-hydroxybenzofuran-2-yl)-4-(3-methylbut-1-enyl)benzene-1,3-diol
4,5-dimethoxy-2,7-cyclolign-7-en-4-ol|pycnanthulignene A
Me glycoside-alpha-Pyranose-2-O-alpha-Rhamnopyranosyl-L-arabinose|My glycoside-beta-Pyranose-2-O-alpha-Rhamnopyranosyl-L-arabinose
Digilanidobiose|O4-beta-D-glucopyranosyl-D-ribo-2,6-dideoxy-hexose|O4-beta-D-Glucopyranosyl-D-ribo-2,6-didesoxy-hexose
2-(2-hydroxy- 4,6-dimethoxyphenyl)-5-[(E)-propenyl]benzofuran|2-(2-hydroxy-4,6-dimethoxyphenyl)-5-(E)-propenylbenzofuran|2-(4,6-dimethoxyphenyl-2-hydroxyphenyl)-5-(E)-propenylbenzofuran
N-(1-hydroxy-5-oxocyclopent-1-enyl)-7-(3-aminophenyl)hepta-2,4,6-trienamide
4-(3-hydroxybutanoyl)-2-[(1E,3E)-5-hydroxyhexa-1,3-dien-1-yl]-5-methoxy-2-methylfuran-3(2H)-one|penicilliol B
6-Me ether,7-methoxy-6-Hydroxy-2-(2-phenylethyl)-4H-1-benzopyran-4-one
4H-1-Benzopyran-4-one, 6-methoxy-2-(2-(4-methoxyphenyl)ethyl)-
N-[1-(Aminocarbonyl)-4-[(2-chloro-1-iminoethyl)amino]butyl]-benzamide
Tanshinone IIA anhydride
TTE-50
(S)-6-(Hydroxymethyl)-1,6-dimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione is a natural product found in Salvia miltiorrhiza with data available. D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D006401 - Hematologic Agents > D000925 - Anticoagulants D000893 - Anti-Inflammatory Agents D000890 - Anti-Infective Agents D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents
bifonazole
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
Avobenzone
D020011 - Protective Agents > D011837 - Radiation-Protective Agents > D013473 - Sunscreening Agents C1892 - Chemopreventive Agent > C851 - Sunscreen D003879 - Dermatologic Agents D003358 - Cosmetics
Desloratadine
Loratadine in which the ethoxycarbonyl group attached to the piperidine ring is replaced by hydrogen. The major metabolite of loratidine, desloratadine is an antihistamine which is used for the symptomatic relief of allergic conditions including rhinitis and chronic urticaria. It does not readily enter the central nervous system, so does not cause drowsiness. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist CONFIDENCE standard compound; INTERNAL_ID 2704 CONFIDENCE standard compound; INTERNAL_ID 8597 Desloratadine (Sch34117) is the orally active major metabolite of the nonsedating H1-antihistamine Loratadine. Desloratadine is a selective H1-receptor antagonist that has anti-allergic and anti-inflammatory activities[1][2]. Desloratadine (Sch34117) is the orally active major metabolite of the nonsedating H1-antihistamine Loratadine. Desloratadine is a selective H1-receptor antagonist that has anti-allergic and anti-inflammatory activities[1][2].
1,7,8-trihydroxy-3-methyl-2,3,4,7-tetrahydro-1H-benzo[a]anthracen-12-one
(4R)-4-ethenyl-4,10-dimethyl-2-(2-methylprop-1-enyl)-2,3-dihydropyrano[3,2-c]chromen-5-one
3-methoxy-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylpropan-1-one
(2-hydroxy-3,6-diphenylcyclohexyl) acetate
(2-hydroxy-3,6-diphenylcyclohexyl) acetate
Bifonazol
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent CONFIDENCE standard compound; INTERNAL_ID 2510 CONFIDENCE standard compound; INTERNAL_ID 8491
1,7,8-trihydroxy-3-methyl-2,3,4,7-tetrahydro-1H-benzo[a]anthracen-12-one
Michepressine
Origin: Plant; SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids
(4R)-4-ethenyl-4,10-dimethyl-2-(2-methylprop-1-enyl)-2,3-dihydropyrano[3,2-c]chromen-5-one [IIN-based on: CCMSLIB00000846008]
(4R)-4-ethenyl-4,10-dimethyl-2-(2-methylprop-1-enyl)-2,3-dihydropyrano[3,2-c]chromen-5-one [IIN-based: Match]
1,7,8-trihydroxy-3-methyl-2,3,4,7-tetrahydro-1H-benzo[a]anthracen-12-one [IIN-based on: CCMSLIB00000845261]
1,7,8-trihydroxy-3-methyl-2,3,4,7-tetrahydro-1H-benzo[a]anthracen-12-one [IIN-based: Match]
1,7,8-trihydroxy-3-methyl-2,3,4,7-tetrahydro-1H-benzo[a]anthracen-12-one_major
3-O-Benzyl-4,5-O-(1-methylethyldiene)-b-D-fructopyranose
Moracin C
Moracin C, a natural product, is an anti-inflammatory agent. Moracin C inhibits LPS-activated reactive oxygen species (ROS) and nitric oxide (NO) release from cells[1]. Moracin C, a natural product, is an anti-inflammatory agent. Moracin C inhibits LPS-activated reactive oxygen species (ROS) and nitric oxide (NO) release from cells[1].
Hydroxytanshinone
2,3-Dehydrosalvipisone
1,7,8-Trihydroxy-3-methyl-2,3,4,7-tetrahydro-12(1H)-tetraphenone
(E)-but-2-enedioic acid,2-methyloxirane,oxirane,propane-1,2,3-triol
TERT-BUTYL 4-(5-FORMYL-4-METHYLTHIAZOL-2-YL)PIPERIDINE-1-CARBOXYLATE
1-(anthracen-9-ylmethyl)-3-methyl-1,2-dihydroimidazol-1-ium,chloride
(4-NITRO-[1,1-BIPHENYL]-4-YL)(PIPERIDIN-1-YL)METHANONE
(3-NITRO-[1,1-BIPHENYL]-4-YL)(PIPERIDIN-1-YL)METHANONE
3-CYCLOPENTYL-2-(4-METHANESULFONYL-PHENYL)-PROPIONIC ACID METHYL ESTER
3-pyridylamine, n-(1-methylethyl)-2-(1-piperazinyl)-,dihydrochloride monohydrate
1,2-Benzenedicarboperoxoicacid, 1,2-bis(1,1-dimethylethyl) ester
[2-(2,4-dimethoxy-phenyl)-2-hydroxyimino-ethyl]-carbamic acid tert-butyl ester
Butanedioic acid,2-(diethoxyphosphinyl)-, 1,4-diethyl ester
1-ETHYL-3-METHYLIMIDAZOLIUM 2-(2-METHOXYETHOXY)ETHYL SULFATE
1-(Trimethylsiloxy)-2-methoxy-4-(1-trimethylsiloxyethenyl)-benzene
[2-(3,4-dimethoxy-phenyl)-2-hydroxyimino-ethyl]-carbamic acid tert-butyl ester
3-(4-Methoxyphenyl)-2-oxo-4-phenylcyclobutyl acetate
2-(3-CHLORO-5-ISOBUTOXYPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
2-(3-BUTOXY-5-CHLOROPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
2-(BIPHENYL-4-CARBONYL)-3-OXO-BUTYRICACIDETHYLESTER
N-Benzyl-1-[6-(2,4-difluorophenyl)-2-pyridyl]MethanaMine
8-BENZYLOXY-2-METHYL-IMIDAZO[1,2-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
10-[(1,3-dimethylpyrrolidin-3-yl)methyl]phenothiazine
4-(Hydroxymethyl)-1,2-O-isopropylidene-3-O-benzyl-a-D-erythro-pentofuranose
1-CYCLOHEXYL-2-(3-FURANYL)-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID
ethyl 3-[2-ethoxy-1-(3-methylphenyl)-2-oxoethyl]sulfanylpropanoate
(1S,2R,3S,5R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexane
3-O-Benzyl-4-C-hydroxymethyl-1,2-O-isopropylidene-alpha-D-ribofuranose
Orantinib
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
Trepibutone
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent
ethyl 3-(2-ethoxy-2-oxo-1-o-tolylethylthio)propanoate
ethyl 3-(2-ethoxy-2-oxo-1-p-tolylethylthio)propanoate
5-(6-Hydroxybenzofuran-2-yl)-2-(3-methylbut-1-enyl)benzene-1,3-diol
9-(BENZYLOXY)-3-(2-HYDROXYETHYL)-2-METHYL-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE
(3-acetylphenyl) 2-[4-(2-methylpropyl)phenyl]acetate
2-(4-(ISOPROPYLSULFONYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
2-(Dibenzo[b,d]thiophen-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
10-Chloro-11-(4-piperidinylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
7-Chloro-11-(4-piperidinylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
beta-(4,4-Difluoro-1-piperidinyl)-2-(trifluoromethyl)-5-pyrimidineethanamine
(3-BOC-AMINO-PIPERIDIN-1-YL)-FURAN-2-YL-ACETICACID
Butanedioic acid,2-(diphenylmethylene)-, 1-ethyl ester
2,8-Diazaspiro[4.5]decan-1-one, 2-[(4-methoxyphenyl)methyl]-, hydrochloride (1:1)
Delgocitinib
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor
1,7-Bis(4-hydroxyphenyl)-3-hydroxy-1,3-heptadien-5-one
(1E)-1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-1-hepten-3-one
isotanshinone iib
A diterpenoid that is 1,2,3,4-tetrahydrophenanthro[3,2-b]furan-7,11-dione substituted by a hydroxymethyl group at position 4 and methyl groups at positions 4 and 8 respectively. Isolated from Salvia miltiorrhiza, it exhibits platelet aggregation inhibitory activity.
N-[2-furanyl-(8-hydroxy-7-quinolinyl)methyl]-2-methylpropanamide
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-2-methylpropanamide
2,2,5,5-Tetramethyl-3,4-diphenyl-2,5-dihydro-1,2,5-oxadisilole
5-[(2-Aminoethyl)amino]-6-fluoro-3-(1H-pyrrol-2-YL)benzo[CD]indol-2(1H)-one
1,3,4-Trihydroxy-5-(3-phenoxypropyl)-cyclohexane-1-carboxylic A cid
Trw3-(2-amino-3-hydroxy-propyl)-6-(N-cyclohexyl-hydrazino)octahydro-indol-7-OL
4-hydroxy-7-methoxy-3-[(1S)-1-phenylpropyl]chromen-2-one
4-hydroxy-3-[(1S)-3-hydroxy-1-phenylbutyl]chromen-2-one
Lersivirine
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
(2S)-5-amino-5-oxo-2-[[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoic acid
2-[2-(Dimethylamino)ethoxy]-3-phenylpyrazino[1,2-a]pyrimidin-4-one
Fusarentin 6,7-dimethyl ether
A natural product found in Colletotrichum species.
2-O-(alpha-L-rhamnopyranosyl)-alpha-L-rhamnopyranose
6-Amino-4-(2-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
2-(2-oxo-1-benzo[cd]indolyl)-N-(2-oxolanylmethyl)acetamide
3-O-(alpha-D-rhamnopyranosyl)-alpha-D-rhamnopyranose
N-[2-(4-methoxyphenyl)-5-benzotriazolyl]butanamide
4-methoxy-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]phenol
4-[4-(Phenylmethyl)-1-piperazinyl]thieno[2,3-d]pyrimidine
3-[(4-Methyl-benzoyl)-hydrazono]-N-pyridin-2-yl-butyramide
(3s)-3-(4-Methoxybenzyl)-4-Methyl-3,4-Dihydro-1h-1,4-Benzodiazepine-2,5-Dione
N-cyclopentyl-3-[(4-methylphenyl)sulfonylamino]propanamide
5-[(Carbamimidoylthio)methyl]-2-(3-methylbutoxy)benzoic acid methyl ester
3-[1-(4-fluorophenyl)-5-isocyano-3H-isobenzofuran-1-yl]-N-methyl-1-propanamine
N-hydroxy-1-[(4-methoxyphenyl)methyl]-5-methylindole-6-carboxamide
N-[(10-methyl-9,10-dihydroacridin-9-yl)carbonyl]-beta-alanine
N-butyl-N(2)-[(R)-2-hydroxy-2-phenylacetyl]-L-cysteinamide
1-methyl-4-(10-oxo-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ylidene)piperidinium
(E)-N-ethyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
5-Acetoxy-3-methoxy-2,6-dimethyl-(6R)-((2R)-2-methylbutyryloxy)-2,3-cyclohexadien-1-one
5-Acetoxy-3-methoxy-4,6-dimethyl-(6S)-((2R)-2-methylbutyryloxy)-2,4-cyclohexadien-1-one
TSU-68 (SU6668, Orantinib)
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
6-(chromen-2-ylidene)-5-methoxy-2,2,4-trimethylcyclohex-4-ene-1,3-dione
8-hydroxy-3-(2-hydroxypentyl)-6,7-dimethoxy-3,4-dihydro-2-benzopyran-1-one
2-[(3r,4z)-7-(4-hydroxyphenyl)hepta-1,4-dien-3-yl]-4-methoxyphenol
4-hydroxy-2-isopropyl-6-methoxy-8-methylphenanthrene-3,9-dione
3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal
7-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-en-1-yl)-5,6-dihydro-4h-phenalene-1,2-dione
2-methoxy-5-[5-(4-methoxyphenoxy)pent-3-en-1-yn-1-yl]phenol
(2r,3s,4r,5r)-2-{[(2s)-2-(pyridin-3-yl)pyrrolidin-1-yl]methyl}oxane-2,3,4,5-tetrol
(3s)-7-hydroxy-8-[(1r)-4-hydroxy-1,3-dihydro-2-benzofuran-1-yl]-3-methyl-3,4-dihydro-2h-naphthalen-1-one
15-hydroxy-16-methoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaene-10-carboximidic acid
5-{6-hydroxy-5-[(1e)-3-methylbut-1-en-1-yl]-1-benzofuran-2-yl}benzene-1,3-diol
4-hydroxy-9-(hydroxymethyl)-6-methoxy-3,6-dimethyl-3h,3ah,4h,5h,6ah,9ah,9bh-azuleno[4,5-b]furan-2,7-dione
7-methoxy-3-(2-methylbut-3-en-2-yl)-8-(3-methylbuta-1,3-dien-1-yl)chromen-2-one
(2s)-2-(4-hydroxyphenyl)-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2h-1-benzopyran-7-ol
(4r,6r)-7-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-en-1-yl)-5,6-dihydro-4h-phenalene-1,2-dione
6,6,10,10-tetramethyl-1,5,9-trioxatriphenylen-2-one
(4e,6e)-7-(3,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)hepta-4,6-dien-3-one
(5e)-2-imino-1,3-dimethyl-5-[(1-propanoylindol-3-yl)methylidene]imidazolidin-4-one
(1s,10r,17s)-17-methyl-2,19-dioxapentacyclo[8.8.1.1¹,¹¹.0⁴,⁹.0¹⁵,²⁰]icosa-4,6,8,11(20),12,14-hexaene-5,12-diol
1,2-dihydrobis(de-o-methyl)-curcumin
{"Ingredient_id": "HBIN000798","Ingredient_name": "1,2-dihydrobis(de-o-methyl)-curcumin","Alias": "NA","Ingredient_formula": "C19H18O4","Ingredient_Smile": "C1=CC(=CC=C1CCC(=O)C=C(C=CC2=CC=C(C=C2)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5547","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,7-bis (4-hydroxyphenyl)-4,6- heptabien-3-one
{"Ingredient_id": "HBIN002006","Ingredient_name": "1,7-bis (4-hydroxyphenyl)-4,6- heptabien-3-one","Alias": "NA","Ingredient_formula": "C19H18O4","Ingredient_Smile": "C1=CC(=CC=C1CCC(=O)C=C(C=CC2=CC=C(C=C2)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41706","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,7-double-(4-Hydroxyphenyl)-4,6-Heptadiene-3-ketone
{"Ingredient_id": "HBIN002044","Ingredient_name": "1,7-double-(4-Hydroxyphenyl)-4,6-Heptadiene-3-ketone","Alias": "NA","Ingredient_formula": "C19H18O4","Ingredient_Smile": "C1=CC(=CC=C1CCC(=O)C=C(C=CC2=CC=C(C=C2)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41354","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-ketoisocryptotanshinone
{"Ingredient_id": "HBIN002684","Ingredient_name": "1-ketoisocryptotanshinone","Alias": "1-keto-isocryptotanshinone","Ingredient_formula": "C19H18O4","Ingredient_Smile": "CC1COC2=C1C(=O)C3=C(C2=O)C4=C(C=C3)C(CCC4=O)(C)C","Ingredient_weight": "310.37","OB_score": "17.98746658","CAS_id": "NA","SymMap_id": "SMIT00895","TCMID_id": "12200","TCMSP_id": "MOL007040","TCM_ID_id": "9176","PubChem_id": "NA","DrugBank_id": "NA"}
(2s)-5-amino-2-[(3ar*,4s*,7r*,7as*)-3a,7a-dimethyl-1,3-dioxo-4,7-epoxyoctahydroisoindol-2-yl]-pentanoicacid
{"Ingredient_id": "HBIN006767","Ingredient_name": "(2s)-5-amino-2-[(3ar*,4s*,7r*,7as*)-3a,7a-dimethyl-1,3-dioxo-4,7-epoxyoctahydroisoindol-2-yl]-pentanoicacid","Alias": "NA","Ingredient_formula": "C15H22N2O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1051","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s)-7,4'-dihydroxy-3'-prenylflavan
{"Ingredient_id": "HBIN006784","Ingredient_name": "(2s)-7,4'-dihydroxy-3'-prenylflavan","Alias": "NA","Ingredient_formula": "C20H22O3","Ingredient_Smile": "CC(=CCC1=C(C=CC(=C1)C2CCC3=C(O2)C=C(C=C3)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6101","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3α-hydroxytanshinone iia
{"Ingredient_id": "HBIN007960","Ingredient_name": "3\u03b1-hydroxytanshinone iia","Alias": "3alpha-hydroxytanshinone iia","Ingredient_formula": "C19H18O4","Ingredient_Smile": "CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)C)O","Ingredient_weight": "310.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15916","TCMID_id": "31274;10735","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "14610644","DrugBank_id": "NA"}
3beta-Hydroxytanshinone IIA
{"Ingredient_id": "HBIN008267","Ingredient_name": "3beta-Hydroxytanshinone IIA","Alias": "(7S)-7-hydroxy-1,6,6-trimethyl-8,9-dihydro-7H-naphtho[8,7-g][1]benzoxole-10,11-dione; (7S)-7-hydroxy-1,6,6-trimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione; (7S)-7-hydroxy-1,6,6-trimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-quinone; CHEMBL377478; AC1NSWQG; 3\u03b2-hydroxytanshinone iia; 3beta-hydroxytanshinone iia; 3-hydroxytanshinone; (7S)-7-hydroxy-1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione","Ingredient_formula": "C19H18O4","Ingredient_Smile": "CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4(C)C)O","Ingredient_weight": "310.3 g/mol","OB_score": "20.52815887","CAS_id": "NA","SymMap_id": "SMIT08558;SMIT15917;SMIT19265","TCMID_id": "31275;10736","TCMSP_id": "MOL007046","TCM_ID_id": "NA","PubChem_id": "5318350","DrugBank_id": "NA"}
3-hydroxytanshinone iia
{"Ingredient_id": "HBIN008751","Ingredient_name": "3-hydroxytanshinone iia","Alias": "NA","Ingredient_formula": "C19H18O4","Ingredient_Smile": "NA","Ingredient_weight": "310.34","OB_score": "NA","CAS_id": "97399-71-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8068","PubChem_id": "NA","DrugBank_id": "NA"}
4-methoxy-2,2-dimethyl-6-(2-(2,4-dihydroxy)phenyl-trans-ethenyl)chromene
{"Ingredient_id": "HBIN010601","Ingredient_name": "4-methoxy-2,2-dimethyl-6-(2-(2,4-dihydroxy)phenyl-trans-ethenyl)chromene","Alias": "NA","Ingredient_formula": "C19H18O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13911","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6(1,1-dimethylallyl)-7,4'-dihydroxylflavan
{"Ingredient_id": "HBIN012000","Ingredient_name": "6(1,1-dimethylallyl)-7,4'-dihydroxylflavan","Alias": "NA","Ingredient_formula": "C20H22O3","Ingredient_Smile": "CC(C)(C=C)C1=C(C=C2C(=C1)CCC(O2)C3=CC=C(C=C3)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6303","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-methoxy-2-[2-(3'-methoxyphenyl)ethyl] chormone
{"Ingredient_id": "HBIN012496","Ingredient_name": "6-methoxy-2-[2-(3'-methoxyphenyl)ethyl] chormone","Alias": "NA","Ingredient_formula": "C19H18O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31562","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-methoxy-2-[2-(4'-methoxyphenyl)ethyl] chro-mone
{"Ingredient_id": "HBIN012500","Ingredient_name": "6-methoxy-2-[2-(4'-methoxyphenyl)ethyl] chro-mone","Alias": "6-methoxy-2-[2-(4'methoxyphenyl)ethyl] chromone","Ingredient_formula": "C19H18O4","Ingredient_Smile": "COC1=CC=C(C=C1)CC(C2=CC3=C(C=C2)OC=CC3=O)OC","Ingredient_weight": "310.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13993;31563","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "129830043","DrugBank_id": "NA"}
6-methylcryptotanshinone[14,16-epoxy-6-methyl-5(10),6,8,13-abietatetraene-11,12-dione]
{"Ingredient_id": "HBIN012560","Ingredient_name": "6-methylcryptotanshinone[14,16-epoxy-6-methyl-5(10),6,8,13-abietatetraene-11,12-dione]","Alias": "NA","Ingredient_formula": "C20H22O3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14256","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-4-hepten-3-one
{"Ingredient_id": "HBIN012937","Ingredient_name": "7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-4-hepten-3-one","Alias": "NA","Ingredient_formula": "C20H22O3","Ingredient_Smile": "NA","Ingredient_weight": "310.392","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7512","PubChem_id": "NA","DrugBank_id": "NA"}
7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-hept-4-en-3-one
{"Ingredient_id": "HBIN012938","Ingredient_name": "7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-hept-4-en-3-one","Alias": "NA","Ingredient_formula": "C20H22O3","Ingredient_Smile": "COC1=C(C=CC(=C1)CCC=CC(=O)CCC2=CC=CC=C2)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10450","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-acetoxy-8-hydroxy-9-isobutyryloxythymol
{"Ingredient_id": "HBIN013019","Ingredient_name": "7-acetoxy-8-hydroxy-9-isobutyryloxythymol","Alias": "NA","Ingredient_formula": "C16H22O6","Ingredient_Smile": "Not Available","Ingredient_weight": "310.38","OB_score": "33.38950649","CAS_id": "NA","SymMap_id": "SMIT00415","TCMID_id": "219","TCMSP_id": "MOL000584","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
alnusoxide
{"Ingredient_id": "HBIN015280","Ingredient_name": "alnusoxide","Alias": "NA","Ingredient_formula": "C19H18O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "965","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anticancer benzofuran pmv70p691-005
{"Ingredient_id": "HBIN016312","Ingredient_name": "anticancer benzofuran pmv70p691-005","Alias": "NA","Ingredient_formula": "C19H18O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1387","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anticancer flavonoid pmv70p691-015
{"Ingredient_id": "HBIN016324","Ingredient_name": "anticancer flavonoid pmv70p691-015","Alias": "NA","Ingredient_formula": "C20H22O3","Ingredient_Smile": "CC(=CCC1=C(C=CC(=C1)C2CCC3=C(O2)C=C(C=C3)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1399","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bidenoside c
{"Ingredient_id": "HBIN018476","Ingredient_name": "bidenoside c","Alias": "NA","Ingredient_formula": "C16H22O6","Ingredient_Smile": "CC=CC#CC#CCCCOC1C(C(C(C(O1)CO)O)O)O","Ingredient_weight": "310.34 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14468","TCMID_id": "2358","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "70695725","DrugBank_id": "NA"}
