Exact Mass: 310.1052
Exact Mass Matches: 310.1052
Found 500 metabolites which its exact mass value is equals to given mass value 310.1052,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Picrotin
Picrotin is an organic heteropentacyclic compound that is picrotoxinin in which the olefinic double bond has undergone addition of water to give the corresponding tertiary alcohol. It is the less toxic component of picrotoxin, lacking GABA activity. It has a role as a plant metabolite. It is an organic heteropentacyclic compound, an epoxide, a tertiary alcohol, a gamma-lactone, a diol and a picrotoxane sesquiterpenoid. It is functionally related to a picrotoxinin. Picrotin is a natural product found in Dendrobium moniliforme and Anamirta cocculus with data available. Picrotin belongs to the class of organic compounds known as furopyrans. These are organic polycyclic compounds containing a furan ring fused to a pyran ring. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds. Picrotin is soluble (in water) and a very weakly acidic compound (based on its pKa). C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant Picrotin is an active compound, also is one of the composition of picrotoxin (an antagonist of GABAA receptors (GABAARs) and glycine receptors (GlyRs)). Picrotin has sensitivity for GlyRs/b> with IC50 values range from 5.2 μM to 106 μM. Picrotin can be used for the research of neurotransmission[1][2]. Picrotin is an active compound, also is one of the composition of picrotoxin (an antagonist of GABAA receptors (GABAARs) and glycine receptors (GlyRs)). Picrotin has sensitivity for GlyRs/b> with IC50 values range from 5.2 μM to 106 μM. Picrotin can be used for the research of neurotransmission[1][2]. Picrotin is an active compound, also is one of the composition of picrotoxin (an antagonist of GABAA receptors (GABAARs) and glycine receptors (GlyRs)). Picrotin has sensitivity for GlyRs/b> with IC50 values range from 5.2 μM to 106 μM. Picrotin can be used for the research of neurotransmission[1][2].
6-Deoxyjacareubin
6-Deoxyjacareubin is a member of pyranoxanthones. 6-Deoxyjacareubin is a natural product found in Mourera fluviatilis, Hypericum brasiliense, and other organisms with data available.
trans-cinnamoyl-beta-D-glucoside
Trans-cinnamoyl-beta-d-glucoside, also known as 1-O-trans-cinnamoyl-beta-D-glucopyranose, is a member of the class of compounds known as O-cinnamoyl glycosides. O-cinnamoyl glycosides are o-glycoside derivatives of cinnamic acid. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid. Trans-cinnamoyl-beta-d-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Trans-cinnamoyl-beta-d-glucoside can be found in a number of food items such as angelica, cherry tomato, garden cress, and yam, which makes trans-cinnamoyl-beta-d-glucoside a potential biomarker for the consumption of these food products. Trans-cinnamoyl-β-d-glucoside, also known as 1-O-trans-cinnamoyl-beta-D-glucopyranose, is a member of the class of compounds known as O-cinnamoyl glycosides. O-cinnamoyl glycosides are o-glycoside derivatives of cinnamic acid. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid. Trans-cinnamoyl-β-d-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Trans-cinnamoyl-β-d-glucoside can be found in a number of food items such as angelica, cherry tomato, garden cress, and yam, which makes trans-cinnamoyl-β-d-glucoside a potential biomarker for the consumption of these food products.
Pentaporphyrin I
Pentaporphyrin I is a porphyrin intermediate detected in liver, kidney and erythrocytes (PubMed ID 8803328 ).
7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin
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].
Glutamyltyrosine
Glutamyltyrosine is a dipeptide composed of glutamate and tyrosine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamyltyrosine is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. Glutamyltyrosine, also known as alpha-glu-tyr or E-Y, is a member of the class of compounds known as dipeptides. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Glutamyltyrosine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Glutamyltyrosine can be found in soy bean, which makes glutamyltyrosine a potential biomarker for the consumption of this food product. Glutamyltyrosine can be found primarily in feces.
Gamma-glutamyltyrosine
gamma-Glutamyltyrosine is a dipeptide composed of gamma-glutamate and tyrosine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. gamma-Glutamyltyrosine is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. γ-Glu-Tyr, a competitive inhibitor of dipeptidyl peptidase-IV (DPP-IV) (IC50=6.77 mM), is a potentially functional component of the type 2 diabetes diet[1].
(E)-1-O-Cinnamoyl-beta-D-glucose
(E)-1-O-Cinnamoyl-beta-D-glucose is found in fruits. (E)-1-O-Cinnamoyl-beta-D-glucose is a constituent of Vaccinium vitis-idaea (cowberry)
Artocarbene
Artocarbene is found in fruits. Artocarbene is a constituent of Artocarpus incisus (breadfruit)
4-(4'-O-Acetyl-alpha-L-rhamnosyloxy)benzaldehyde
4-(4-O-Acetyl-alpha-L-rhamnosyloxy)benzaldehyde has been isolated from the leaves of Moringa oleifera (horseradish tree). It is found in fats and oils as well as in herbs and spices. Isolated from Moringa oleifera (horseradish tree). 1-Pentadecanecarboxylic acid is found in fats and oils and herbs and spices.
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.
(E)-2-O-Cinnamoyl-beta-D-glucopyranose
(E)-2-O-Cinnamoyl-beta-D-glucopyranose is found in green vegetables. (E)-2-O-Cinnamoyl-beta-D-glucopyranose is a constituent of commercial rhubarb, Rheum sp Constituent of commercial rhubarb, Rheum species (E)-2-O-Cinnamoyl-beta-D-glucopyranose is found in green vegetables.
6,11-Dihydroxy-2,2-dimethylpyrano[3,2-c]xanthen-7(2H)-one
6,11-Dihydroxy-2,2-dimethylpyrano[3,2-c]xanthen-7(2H)-one is found in fruits. 6,11-Dihydroxy-2,2-dimethylpyrano[3,2-c]xanthen-7(2H)-one is a constituent of the root bark of Garcinia livingstonei (imbe). Constituent of the root bark of Garcinia livingstonei (imbe). 6,11-Dihydroxy-2,2-dimethylpyrano[3,2-c]xanthen-7(2H)-one is found in fruits.
Tyrosyl-Glutamate
Tyrosyl-Glutamate is a dipeptide composed of tyrosine and glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
2-[(4-Oxo-3-phenyl-4H-chromen-7-YL)oxy]propanoic acid
Mabuterol
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents
Porphycene
Tanshinone IIb
Valine-betaxanthin
Przewaquinone A
Przewaquinone A is a natural product found in Salvia densiflora, Salvia miltiorrhiza, and other organisms with data available.
7-(2,3-Dihydroxy-3-methylbutyloxy)-5-hydroxy-6-methoxycoumarin
Obolactone
A pyranone isolated from the trunk barks of Cryptocarya obovata and has been shown to exhibit cytotoxicity against the KB cell line.
Mabuterol
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents CONFIDENCE standard compound; INTERNAL_ID 1102
6-Hydroxy-2-(2-phenylethyl)-chromone6-Me ether3-methoxy
(3R*,4S*,5E,8S*,10S*)-3,8-epoxy-3,4,13-trihydroxy-1-oxogermacra-5,7(11)-dien-6,12-olide|potamopholide
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
4-Amino-7-(b-D-ribofuranosyl)-7H-pyrrolo[2.3-d]pyrimidine-5-carboxylic acid
2,9-Dihydroxy-dibenz[a,h]anthracen|Dibenz[a,h]anthracen-2,9-diol|dibenz[a,h]anthracene-2,9-diol
3-(methoxycarbonyl)-2,4-diphenylcyclobutanecarboxylic acid
2-(2-hydroxy-4-methoxyphenyl)-7-methoxy-5-(E)-propenylbenzofuran|Toltecol
3alpha-Hydroxytanshinone IIA|3??-Hydroxytanshinone IIA
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
5-hydroxy-6-(1,1-dimethylallyl)oroselone|Hortiolon
2beta,3beta-dihydroxy-11beta,13-dihydrodeoxymikanolide
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
methyl (2R,3R,4R,4aS,7aR)-3-hydroxy-4-[(S)-1-hydroxyethyl]-5-oxo-3,4,4a,7a-tetrahydro-1H,5H-spiro[cyclopenta[c]pyran-7,2-furan]-4-carboxylate|plumeridoid C
(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
1-{2-[(1E)-1-(5-chloro-1H-pyrrol-2-yl)prop-1-en-2-yl]-1,3-oxazol-4-yl}-2-methylbutane-1,3-diol|Pyrronazol C1
(E)-3,5-dimethoxy-4-[6-(prop-1-enyl)benzofuran-2-yl]phenol
Picrotin
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.508 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.502 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.503 Picrotin is an active compound, also is one of the composition of picrotoxin (an antagonist of GABAA receptors (GABAARs) and glycine receptors (GlyRs)). Picrotin has sensitivity for GlyRs/b> with IC50 values range from 5.2 μM to 106 μM. Picrotin can be used for the research of neurotransmission[1][2]. Picrotin is an active compound, also is one of the composition of picrotoxin (an antagonist of GABAA receptors (GABAARs) and glycine receptors (GlyRs)). Picrotin has sensitivity for GlyRs/b> with IC50 values range from 5.2 μM to 106 μM. Picrotin can be used for the research of neurotransmission[1][2]. Picrotin is an active compound, also is one of the composition of picrotoxin (an antagonist of GABAA receptors (GABAARs) and glycine receptors (GlyRs)). Picrotin has sensitivity for GlyRs/b> with IC50 values range from 5.2 μM to 106 μM. Picrotin can be used for the research of neurotransmission[1][2].
6-O-cinnamoyl-D-glucopyranose|6-O-cinnamoyl-D-glucopyranose|6-O-cinnamoylglucose
(E)-5-(6-hydroxybenzofuran-2-yl)-4-(3-methylbut-1-enyl)benzene-1,3-diol
5-Hydroxy-6-methoxy-7-(2,3-dihydroxy-3-methylbutoxy)coumarin
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
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
gamma-Glutamyltyrosine
γ-Glu-Tyr, a competitive inhibitor of dipeptidyl peptidase-IV (DPP-IV) (IC50=6.77 mM), is a potentially functional component of the type 2 diabetes diet[1].
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
3-methoxy-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylpropan-1-one
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-phenylprop-2-enoate
C17H14N2O4_Spiro[3H-1,4-benzodiazepine-3,2-oxirane]-2,5(1H,4H)-dione, 3-(3-hydroxyphenyl)-4-methyl-, (3S,3R)
gamma-Glu-tyr
A dipeptide composed of L-glutamic acid and L-tyrosine joined by a peptide linkage.
(3S,3R)-3-(3-hydroxyphenyl)-4-methylspiro[1H-1,4-benzodiazepine-3,2-oxirane]-2,5-dione
1,7,8-trihydroxy-3-methyl-2,3,4,7-tetrahydro-1H-benzo[a]anthracen-12-one
Lymphostin
A member of the class of pyrroloquinolines that is pyrrolo[4,3,2-de]quinoline in which the hydrogens at positions 4, 6 and 8 are replaced by (1E)-1-methoxy-3-oxoprop-1-en-3-yl, acetylamino and amino groups, respectively. It is an alkaloid isolated from Streptomyces and Salinispora species, exhibits potent immunosuppressive activity, and inhibits Fyn and Lck protein kinases.
1,7,8-trihydroxy-3-methyl-2,3,4,7-tetrahydro-1H-benzo[a]anthracen-12-one [IIN-based on: CCMSLIB00000845261]
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-phenylprop-2-enoate [IIN-based on: CCMSLIB00000848381]
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-phenylprop-2-enoate [IIN-based: Match]
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
2-Naphthalenepropanol, 6-methoxy-a-methyl-, hydrogen sulfate
(E)-1-O-Cinnamoyl-beta-D-glucose
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].
(E)-2-O-Cinnamoyl-beta-D-glucopyranose
Hydroxytanshinone
1,7,8-Trihydroxy-3-methyl-2,3,4,7-tetrahydro-12(1H)-tetraphenone
3-[[2-[4-(cyanomethyl)phenoxy]acetyl]amino]benzoic acid
ethyl 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
2-(4-FLUOROPHENYL)-3-METHYLTHIO-4,5-DIHYDRO-2H-BENZO[G]INDAZOLE
1-(anthracen-9-ylmethyl)-3-methyl-1,2-dihydroimidazol-1-ium,chloride
3-CYCLOPENTYL-2-(4-METHANESULFONYL-PHENYL)-PROPIONIC ACID METHYL ESTER
Pyrimido[1,2-a]benzimidazol-4-amine, N-(3,4-difluorophenyl)-2-methyl- (9CI)
Butanedioic acid,2-(diethoxyphosphinyl)-, 1,4-diethyl ester
1-ETHYL-3-METHYLIMIDAZOLIUM 2-(2-METHOXYETHOXY)ETHYL SULFATE
3-(4-Methoxyphenyl)-2-oxo-4-phenylcyclobutyl acetate
2-(BIPHENYL-4-CARBONYL)-3-OXO-BUTYRICACIDETHYLESTER
3-(4-butylphenyl)-2-sulfanylidene-1H-quinazolin-4-one
ETHYL 4-HYDROXY-2-OXO-1-PHENYL-1,2-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXYLATE
ethyl 3-[2-ethoxy-1-(3-methylphenyl)-2-oxoethyl]sulfanylpropanoate
ethyl 3-(2-ethoxy-2-oxo-1-o-tolylethylthio)propanoate
ethyl 3-(2-ethoxy-2-oxo-1-p-tolylethylthio)propanoate
Benzo[a]phenoxazin-7-ium,9-(dimethylamino)-, chloride (1:1)
5-(6-Hydroxybenzofuran-2-yl)-2-(3-methylbut-1-enyl)benzene-1,3-diol
8-DIMETHYLAMINO-2,3-BENZOPHENOXAZINE HEMI(ZINC CHLORIDE) SALT
2-(Dibenzo[b,d]thiophen-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-(4-Methoxybenzyloxycarbonyloxyimino)-2-Phenylacetonitrile
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
1-(2-BENZO[1,3]DIOXOL-5-YL-IMIDAZO[1,2-A]PYRIMIDIN-3-YLMETHYL)-PIPERIDINE-4-CARBOXYLICACID
4-[CARBOXY-(4-METHOXY-PHENYL)-METHYL]-PIPERAZINE-1-CARBOXYLICACIDTERT-BUTYLESTERHYDROCHLORIDE
Butanedioic acid,2-(diphenylmethylene)-, 1-ethyl ester
1-Amino-4-methylamino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylicacidmethylester
5-(1-Piperazinyl)-2-benzofurancarboxylic acid ethyl ester hydrochloride
1-(Diphenylmethyl)-3-azetidinamine dihydrochloride
5-Methyl-5-(4-phenoxy-phenyl)-pyrimidine-2,4,6-trione
1,7-Bis(4-hydroxyphenyl)-3-hydroxy-1,3-heptadien-5-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-{8-amino-4-[(2E)-3-methoxyprop-2-enoyl]pyrrolo[4,3,2-de]quinolin-6-yl}acetamide
4-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide
8-methoxy-N-(6-methylpyridin-2-yl)-2-oxo-2H-chromene-3-carboxamide
6-Methoxy-4-methyl-2-[(2-methylphenyl)methylthio]quinazoline
4-Hydroxy-3-nitrophenylacetyl-epsilon-aminocaproic acid
2-(methylthio)-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
1,2-Benzenedicarboxylic acid, bis(trimethylsilyl) ester
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
(5s)-2-{[(1s)-1-(4-Fluorophenyl)ethyl]amino}-5-(1-Hydroxy-1-Methylethyl)-5-Methyl-1,3-Thiazol-4(5h)-One
4-hydroxy-7-methoxy-3-[(1S)-1-phenylpropyl]chromen-2-one
4-hydroxy-3-[(1S)-3-hydroxy-1-phenylbutyl]chromen-2-one
[4-[5-(3-Chloroanilino)pyridin-3-yl]phenyl]methanol
4-Amino-5-(2-amino-3-phenylpropanoyl)peroxy-5-oxopentanoic acid
Microdiplodiasol
A member of the class of xanthones that is 1,2,3,4,4a,9a-hexahydro-9H-xanthen-9-one substituted by hydroxy groups at positions 1, 4, 8 and 9a, a hydroxymethyl group at position 6 and a methyl group at position 4a. Isolated from the endophytic fungus Microdiplodia species, it exhibits antibacterial activity.
3-[[(3-Methoxyphenyl)-oxomethyl]amino]-2-benzofurancarboxamide
6-methoxy-2-oxo-N-(3-pyridinylmethyl)-1-benzopyran-3-carboxamide
N-(furan-2-ylmethyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
4-[4-(Phenylmethyl)-1-piperazinyl]thieno[2,3-d]pyrimidine
4-[[2-(1-Benzotriazolyl)-1-oxoethyl]amino]benzoic acid methyl ester
3-[[2-(1-Benzotriazolyl)-1-oxoethyl]amino]benzoic acid methyl ester
4-(1,3-dioxo-2-isoindolyl)-N-(2-hydroxyethyl)benzamide
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methylbenzamide
2,7-Diamino-3-[(2-fluorophenyl)diazenyl]-5-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
3,4-dihydro-1H-isoquinolin-2-yl-(4-ethyl-5-thieno[3,2-b]pyrrolyl)methanone
N-[[1H-benzimidazol-2-yl(oxo)methyl]amino]carbamic acid (phenylmethyl) ester
(2R,3R,4S)-1-(2-fluorobenzoyl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
(2S,3R,4R)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
(2R,3S,4S)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
3-(4-Tert-butylanilino)-2-(thiophene-3-carbonyl)prop-2-enenitrile
(2S,3R,4S)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
(2S,3S,4R)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
(2S,3S,4S)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
(2R,3R,4R)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
(2R,3S,4R)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
6-(2-Carboxy-3-hydroxy-2-methylpropoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxyoxane-2-carboxylic acid
N-Acetyl-4-(3-methoxyacryloyl)pyrrolo[4,3,2-de]quinoline-6,8-diamine
1-Acetyl-3-(4-nitrophenyl)-4-(pyridin-2-yl)-2-pyrazoline
1-Acetyl-4-(4-nitrophenyl)-3-(pyridin-2-yl)-2-pyrazoline
Pikrotin
Picrotin is an organic heteropentacyclic compound that is picrotoxinin in which the olefinic double bond has undergone addition of water to give the corresponding tertiary alcohol. It is the less toxic component of picrotoxin, lacking GABA activity. It has a role as a plant metabolite. It is an organic heteropentacyclic compound, an epoxide, a tertiary alcohol, a gamma-lactone, a diol and a picrotoxane sesquiterpenoid. It is functionally related to a picrotoxinin. Picrotin is a natural product found in Dendrobium moniliforme and Anamirta cocculus with data available. An organic heteropentacyclic compound that is picrotoxinin in which the olefinic double bond has undergone addition of water to give the corresponding tertiary alcohol. It is the less toxic component of picrotoxin, lacking GABA activity. C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant Picrotin is an active compound, also is one of the composition of picrotoxin (an antagonist of GABAA receptors (GABAARs) and glycine receptors (GlyRs)). Picrotin has sensitivity for GlyRs/b> with IC50 values range from 5.2 μM to 106 μM. Picrotin can be used for the research of neurotransmission[1][2]. Picrotin is an active compound, also is one of the composition of picrotoxin (an antagonist of GABAA receptors (GABAARs) and glycine receptors (GlyRs)). Picrotin has sensitivity for GlyRs/b> with IC50 values range from 5.2 μM to 106 μM. Picrotin can be used for the research of neurotransmission[1][2]. Picrotin is an active compound, also is one of the composition of picrotoxin (an antagonist of GABAA receptors (GABAARs) and glycine receptors (GlyRs)). Picrotin has sensitivity for GlyRs/b> with IC50 values range from 5.2 μM to 106 μM. Picrotin can be used for the research of neurotransmission[1][2].
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-phenylprop-2-enoate
GK187
GK187 is a potent and selective Group VIA calcium-independent phospholipase A2 (GVIA iPLA2) inhibitor with an XI(50) value of 0.0001. GK187 can be used for researching various neurological disorders[1]. [The XI(50) is the mole fraction of the inhibitor in the total substrate interface required to inhibit the enzyme by 50\%.]
ML254
ML254 is a potent mGlu5 potentiator, with EC50 and pEC50 of 9.3 nM and 8.03 nM for rat mGlu5, respectively. ML254 can be used for researching schizophrenia[1]. ML254 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
3-{4-[(3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}prop-2-enoic acid
6,9-dihydroxy-2,11-dimethyl-4,8,14-trioxapentacyclo[7.4.2.1⁷,¹⁰.0¹,¹⁰.0²,⁶]hexadecane-5,15-dione
6-(chromen-2-ylidene)-5-methoxy-2,2,4-trimethylcyclohex-4-ene-1,3-dione
(1r,2r,3s,7r,8s,11r,13r,14s)-2,7-dihydroxy-3,14-dimethyl-5,9,12-trioxapentacyclo[6.6.1.1²,¹³.0¹,¹¹.0³,⁷]hexadecane-6,10-dione
(2s,4e)-4-[(2e)-2-[(4-carboxybutyl)imino]ethylidene]-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid
1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.1⁹,¹².0³,⁵.0⁵,¹³]tetradecane-6,11-dione
7-[(2r)-2,3-dihydroxy-3-methylbutoxy]-5-hydroxy-6-methoxychromen-2-one
7-hydroxy-8-methoxy-3-[(1s,2r)-1,2,3-trihydroxy-3-methylbutyl]chromen-2-one
n-{11-amino-6-[(2e)-3-methoxyprop-2-enoyl]-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1,3,5,8(12),10-pentaen-9-ylidene}acetamide
2,7-dihydroxy-3,14-dimethyl-5,9,12-trioxapentacyclo[6.6.1.1²,¹³.0¹,¹¹.0³,⁷]hexadecane-6,10-dione
(1r,2s,5r,6s,10r,11s,14r)-5,10,14-trihydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.0¹,⁵.0⁶,¹⁰]pentadec-3-ene-9,13-dione
4-hydroxy-2-isopropyl-6-methoxy-8-methylphenanthrene-3,9-dione
4,5,8-trihydroxy-2-(hydroxymethyl)-6-methoxy-3-(2-oxopropyl)-3,4-dihydro-2h-naphthalen-1-one
2-methoxy-5-[5-(4-methoxyphenoxy)pent-3-en-1-yn-1-yl]phenol
(3s)-7-hydroxy-8-[(1r)-4-hydroxy-1,3-dihydro-2-benzofuran-1-yl]-3-methyl-3,4-dihydro-2h-naphthalen-1-one
5-{6-hydroxy-5-[(1e)-3-methylbut-1-en-1-yl]-1-benzofuran-2-yl}benzene-1,3-diol
(3r,4as,5r,10as)-3,5,6,9-tetrahydroxy-7-methoxy-3-methyl-1h,4h,4ah,5h,10ah-naphtho[2,3-c]pyran-10-one
n-[(2s,3r)-1-ethoxy-3-hydroxy-1-oxobutan-2-yl]-2-hydroxy-3-[(hydroxymethylidene)amino]benzenecarboximidic acid
6,6,10,10-tetramethyl-1,5,9-trioxatriphenylen-2-one
2-hydroxy-3'-(3-hydroxyphenyl)-4-methylspiro[1,4-benzodiazepine-3,2'-oxiran]-5-one
7,9-dihydroxy-4-(2-hydroxypropyl)-8-methoxy-4,5-dihydro-1h-3-benzoxocine-2,6-dione
methyl (2e)-3-(2-{[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}phenyl)prop-2-enoate
(4e,6e)-7-(3,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)hepta-4,6-dien-3-one
1,5,8,8a-tetrahydroxy-3-(hydroxymethyl)-10a-methyl-5,6,7,8-tetrahydroxanthen-9-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-dehydroneomajucin
{"Ingredient_id": "HBIN000778","Ingredient_name": "1,2-dehydroneomajucin","Alias": "NA","Ingredient_formula": "C15H18O7","Ingredient_Smile": "CC1=CCC2(C13CC(C4(C2(COC4=O)C)O)OC(=O)C3O)O","Ingredient_weight": "310.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4951","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11141421","DrugBank_id": "NA"}
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-(4-Coumaroyl)alpha-rhamnopyranose
{"Ingredient_id": "HBIN001396","Ingredient_name": "1-(4-Coumaroyl)alpha-rhamnopyranose","Alias": "(E)-3-(4-hydroxyphenyl)prop-2-enoic acid [(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl] ester; 1-Carp; [(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate; alpha-L-Mannopyranose, 6-deoxy-, 1-(3-(4-hydroxyphenyl)-2-propenoate), (E)-; [(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate; 102719-86-8; [(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate; (E)-3-(4-hydroxyphenyl)acrylic acid [(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl] ester","Ingredient_formula": "C15H18O7","Ingredient_Smile": "CC1C(C(C(C(O1)OC(=O)C=CC2=CC=C(C=C2)O)O)O)O","Ingredient_weight": "310.3","OB_score": "25.76914445","CAS_id": "102719-86-8","SymMap_id": "SMIT13680","TCMID_id": "NA","TCMSP_id": "MOL012968","TCM_ID_id": "NA","PubChem_id": "6438942","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"}
1-o-cis-cinnamoyl-β-d-glucopyranose
{"Ingredient_id": "HBIN002864","Ingredient_name": "1-o-cis-cinnamoyl-\u03b2-d-glucopyranose","Alias": "NA","Ingredient_formula": "C15H18O7","Ingredient_Smile": "C1=CC=C(C=C1)C=CC(=O)OC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3704","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-o-trans-cinnamoyl-β-d-glucopyranose
{"Ingredient_id": "HBIN002933","Ingredient_name": "1-o-trans-cinnamoyl-\u03b2-d-glucopyranose","Alias": "NA","Ingredient_formula": "C15H18O7","Ingredient_Smile": "C1=CC=C(C=C1)C=CC(=O)OC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3705","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,3-dehydroneomajucin
{"Ingredient_id": "HBIN003957","Ingredient_name": "2,3-dehydroneomajucin","Alias": "NA","Ingredient_formula": "C15H18O7","Ingredient_Smile": "CC1C=CC2(C13CC(C4(C2(COC4=O)C)O)OC(=O)C3O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4952","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-Cinnamoyl-glucose
{"Ingredient_id": "HBIN005460","Ingredient_name": "2-Cinnamoyl-glucose","Alias": "2-cinnamoyl-glucose; (E)-3-phenylacrylic acid [(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl] ester; (E)-3-phenylprop-2-enoic acid [(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl] ester; [(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl] (E)-3-phenylprop-2-enoate; [(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-phenylprop-2-enoate","Ingredient_formula": "C15H18O7","Ingredient_Smile": "C1=CC=C(C=C1)C=CC(=O)C(C=O)(C(C(C(CO)O)O)O)O","Ingredient_weight": "310.3 g/mol","OB_score": "17.0231529","CAS_id": "NA","SymMap_id": "SMIT04518;SMIT14680","TCMID_id": "3706","TCMSP_id": "MOL002232","TCM_ID_id": "NA","PubChem_id": "129650403","DrugBank_id": "NA"}
2-oxo-6-deoxyneoanisatin
{"Ingredient_id": "HBIN006278","Ingredient_name": "2-oxo-6-deoxyneoanisatin","Alias": "NA","Ingredient_formula": "C15H18O7","Ingredient_Smile": "CC1C2CC3(C(C(=O)CC3(C14COC4=O)O)C)C(C(=O)O2)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25397","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s)-hydroxy-3,4-dehydroneomajucin
{"Ingredient_id": "HBIN006812","Ingredient_name": "(2s)-hydroxy-3,4-dehydroneomajucin","Alias": "NA","Ingredient_formula": "C15H18O7","Ingredient_Smile": "CC1C(C=C2C13CC(C4(C2(COC4=O)C)O)OC(=O)C3O)O","Ingredient_weight": "310.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9974","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "21629990","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"}
3-oxo-6-deoxyneoanisatin
{"Ingredient_id": "HBIN009409","Ingredient_name": "3-oxo-6-deoxyneoanisatin","Alias": "NA","Ingredient_formula": "C15H18O7","Ingredient_Smile": "CC1C2CC3(C(C(=O)CC3(C14COC4=O)O)C)C(C(=O)O2)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16300","TCMSP_id": "NA","TCM_ID_id": "NA","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-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- o -cinnamoylglucose
{"Ingredient_id": "HBIN012652","Ingredient_name": "6- o -cinnamoylglucose","Alias": "NA","Ingredient_formula": "C15H18O7","Ingredient_Smile": "NA","Ingredient_weight": "310.3","OB_score": "NA","CAS_id": "64461-84-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7637","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"}
