JAZL/ChemGist-CHON huggingface dataset:
Compound: Wogonin
SMILES: O=c1c2c(oc(c1)-c3ccccc3)c(OC)c(O)cc2O
InChIKey: XLTFNNCXVBYBSX-UHFFFAOYSA-N
Synonyms: Wogonin, 632-85-9, 5,7-Dihydroxy-8-methoxyflavone, Vogonin, 4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-methoxy-2-phenyl-, 5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-4-one, Norwogonin 8-methyl ether, 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one, FLAVONE, 5,7-DIHYDROXY-8-METHOXY-, POK93PO28W, DTXSID70212557, CHEBI:10043, RefChem:194946, DTXCID00135048, 5,7-dihydroxy-8-methoxy-2-phenyl-4H-1-benzopyran-4-one, MFCD00017736, 5,7-Dihydroxy-8-methoxy-2-phenyl-chromen-4-one, CHEMBL16171, ST077088, UNII-POK93PO28W, BRN 0287152, wagonin, Wogonin hydrate, Wogonin?, 4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-methoxy-2-phenyl-; Flavone, 5,7-dihydroxy-8-methoxy- (7CI,8CI); Wogonin (6CI); 5,7-Dihydroxy-8-methoxy-2-phenyl-4H-1-benzopyran-4-one; 5,7-Dihydroxy-8-methoxyflavone, Wogonin (Standard), Wogonin, S. baicalensis, MLS002473006, SCHEMBL139083, orb1304829, orb3139944, SCHEMBL29632729, HY-N0400R, 5,7-dihydroxy-8-methoxy flavone, GLXC-03816, HMS2270G08, HY-N0400, BDBM50140257, HB4126, LMPK12111330, MFCD12828871, MSK158723, NSC717845, s4743, AKOS015917860, CCG-208499, CS-3959, EBC-224037, FW09374, NSC-717845, NCGC00247464-01, NCGC00247464-08, AC-20338, AC-32550, AS-70103, NCI60_040649, SMR001397111, DB-054448, NS00018017, W0010, Q409606, SR-05000002216, SR-05000002216-2, 5,7-Dihydroxy-8-methoxy-2-phenyl-chromen-4-one(Wogonin), WogoninVogonin; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-methoxy-2-phenyl-; Norwogonin 8-methyl ether
Theoretical properties:
molecular_formula: C16H12O5
molecular_weight: 284.26 g/mol
exact_mass: 284.06847348 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 2
heavy_atom_count: 21
topological_polar_surface_area: 76 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Wogonin is a dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-8. It has a role as an antineoplastic agent, an angiogenesis inhibitor, a cyclooxygenase 2 inhibitor and a plant metabolite. It is a monomethoxyflavone and a dihydroxyflavone. It is a conjugate acid of a wogonin(1-).
chebi: A dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-8.
chembl: WOGONIN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Wogonin is an O-methylated flavone, a flavonoid-like chemical compound which is found in Scutellaria baicalensis.
The glycosides of wogonin are known as wogonosides.  For example, oroxindin is a wogonin glucuronide isolated from Oroxylum indicum. It is one of the active ingredients of Sho-Saiko-To, a Japanese herbal supplement.
Compound: Oroxindin
SMILES: O=c1c2c(oc(c1)-c3ccccc3)c(OC)c(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@@H]([C@H]4O)O)cc2O
InChIKey: LNOHXHDWGCMVCO-NTKSAMNMSA-N
Synonyms: Oroxindin, Wogonin 7-O-glucuronide, ETX4944Z3R, wogonin 7-O-beta-D-glucuronide, CHEBI:61282, Wogonin 7-glucuronide, DTXSID80199062, 5-hydroxy-8-methoxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid, (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid, RefChem:43538, DTXCID10121553, (3S,4S,6S)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid, Wogonoside, 51059-44-0, 5,7-dihydroxy-8-methoxyflavone 7-O-beta-D-glucuronide, CHEMBL464732, MFCD08704808, (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-((5-hydroxy-8-methoxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid, Wogonin 7-O-b-D-glucuronide, UNII-ETX4944Z3R, Glychionide B, wogonin glucuronide, Wogonoside (Standard), wogonin-7-O-glucuronide, wogonin-7-O-glucuronic acid, MEGxp0_000537, SCHEMBL26874304, SCHEMBL29550518, ACon1_000851, HY-N0399R, WLZ4699, HY-N0399, MSK40015, BDBM50478452, s9115, AKOS015897144, CCG-269333, EBC-618414, MW15965, Wogonoside, >=95% (LC/MS-ELSD), WOGONIN 7-.BETA.-D-GLUCURONIDE, NCGC00169296-01, (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(5-hydroxy-8-methoxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]oxane-2-carboxylic acid, WOGONIN 7-O-.BETA.-D-GLUCURONIDE, wogonin 7-O-beta-glucuronine methyl ester, CS-0008934, W0012, WOGONIN 7-O-.BETA.-D-GLUCURONOPYRANOSIDE, Q3356626, BRD-K72010518-001-01-0, 5-Hydroxy-8-methoxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid, (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenyl-chromen-7-yl)oxy-tetrahydropyran-2-carboxylic acid, .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 5-HYDROXY-8-METHOXY-4-OXO-2-PHENYL-4H-1-BENZOPYRAN-7-YL
Theoretical properties:
molecular_formula: C22H20O11
molecular_weight: 460.4 g/mol
exact_mass: 460.10056145 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 5
hydrogen_bond_acceptor_count: 11
rotatable_bond_count: 5
heavy_atom_count: 33
topological_polar_surface_area: 172 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Wogonin 7-O-beta-D-glucuronide is the glycosyloxyflavone which is the 7-O-glucuronide of wogonin. It is a beta-D-glucosiduronic acid, a monomethoxyflavone, a monohydroxyflavone, a glycosyloxyflavone and a monosaccharide derivative. It is functionally related to a wogonin. It is a conjugate acid of a wogonin 7-O-beta-D-glucuronate.
chebi: The glycosyloxyflavone which is the 7-<em>O</em>-glucuronide of wogonin.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Oroxindin is a flavone, a type of phenolic chemical compound. It is a wogonoside, more accurately a wogonin glucuronide isolated from Oroxylum indicum (Bignoniaceae), Bacopa monnieri (Plantaginaceae), and Holmskioldia sanguinea (Chinese hat plant, Verbenaceae).
Compound: Oroxylin A
SMILES: O=c1c2c(O)c(OC)c(O)cc2oc(c1)-c3ccccc3
InChIKey: LKOJGSWUMISDOF-UHFFFAOYSA-N
Synonyms: Oroxylin A, 480-11-5, Oroxylin, 5,7-dihydroxy-6-methoxyflavone, 5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one, 5,7-dihydroxy-6-methoxy-2-phenyl-4H-1-benzopyran-4-one, baicalein 6-methyl ether, 53K24Z586G, CHEBI:61668, DTXSID70197375, RefChem:168579, DTXCID80119866, 663-302-7, 5,7-dihydroxy-6-methoxy-2-phenyl-4H-chromen-4-one, MFCD02259441, 6-Methoxybaicalein, 4H-1-Benzopyran-4-one, 5,7-dihydroxy-6-methoxy-2-phenyl-, Baicalein 6-methyl ether;6-Methoxybaicalein, 5,7-Dihydroxy-6-methoxy-2-phenyl-chromen-4-one, laminarin A, Oroxylin-A, UNII-53K24Z586G, Oroxylin A?, Oroxylin A (Standard), OROXYLIN A [MI], SCHEMBL431423, CHEMBL183513, orb1300223, orb3140452, SCHEMBL30452350, GTPL13522, HY-N0560R, GLXC-13294, Oroxylin A, >=98% (HPLC), EX-A4028, HY-N0560, MSK40012, BDBM50430091, LMPK12111096, NSC843016, s9204, AKOS015903364, CCG-267292, CS-4948, EBC-467046, FO63225, NSC-843016, NCGC00480772-03, AC-31960, BS-16891, DA-76463, SY111330, FLAVONE, 5,7-DIHYDROXY-6-METHOXY-, NS00116326, C22603, F809645, Q3356627
Theoretical properties:
molecular_formula: C16H12O5
molecular_weight: 284.26 g/mol
exact_mass: 284.06847348 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 2
heavy_atom_count: 21
topological_polar_surface_area: 76 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Oroxylin A is a dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-6. It has a role as an antineoplastic agent and an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is a monomethoxyflavone and a dihydroxyflavone. It is a conjugate acid of an oroxylin A(1-).
chebi: A dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-6.
chembl: OROXYLIN A is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Oroxylin A is an O-methylated flavone, a chemical compound that can be found in the medicinal plants Scutellaria baicalensis and Scutellaria lateriflora, and the Oroxylum indicum tree. It has demonstrated activity as a dopamine reuptake inhibitor, and is also a negative allosteric modulator of the benzodiazepine site of the GABAA receptor. Oroxylin A has been found to improve memory consolidation in mice by elevating brain-derived neurotrophic factor (BDNF) levels in the hippocampus.
Compound: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
SMILES: O=c1c2c(O)c(c(O)cc2oc(c1)-c3cc(O)c(O)cc3)C4OC(C(O)C(C4O)O)CO
InChIKey: ODBRNZZJSYPIDI-UHFFFAOYSA-N
Synonyms: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one, 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)chromen-4-one, RefChem:1061000, MLS000876959, SMR000440666, luteolin 6-C-hexoside, luteolin-6-C-hexoside, Compound NP-000286, MEGxp0_000099, CHEMBL1302308, SCHEMBL14076164, ACon1_000742, BDBM60724, cid_6426860, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-.beta.-D-glucopyranosyl-5,7-dihydroxy-, CHEBI:139455, ODBRNZZJSYPIDI-UHFFFAOYSA-N, HMS2270L22, HMS3345G01, HMS5086B19, AKOS040740172, NCGC00169402-01, DB-050949, NP-000286(7), SR-01000758969, 3',4',5,7-tetrahydroxy-6-c-glucopyranosylflavone, SR-01000758969-3, BRD-A41386682-001-01-4, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)chromone, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one, 2-[3,4-bis(oxidanyl)phenyl]-6-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one
Theoretical properties:
molecular_formula: C21H20O11
molecular_weight: 448.4 g/mol
exact_mass: 448.10056145 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 8
hydrogen_bond_acceptor_count: 11
rotatable_bond_count: 3
heavy_atom_count: 32
topological_polar_surface_area: 197 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]hexitol is a C-glycosyl compound and a member of flavonoids.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
Compound: 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
SMILES: O=c1c2c(O)c(c(O)cc2oc(c1)-c3ccc(O)cc3)C4OC(C(O)C(C4O)O)CO
InChIKey: MYXNWGACZJSMBT-UHFFFAOYSA-N
Synonyms: 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one, 5,7-Dihydroxy-2-(4-Hydroxyphenyl)-6-(3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl)Chromen-4-One, RefChem:1072254, MLS000877022, SMR000440604, Saponaretin;Homovitexin, Isovitexin(4), Isovitexin [M+H]+, MEGxp0_000100, CHEMBL1601394, SCHEMBL20870221, ACon1_000206, BDBM60722, cid_4475102, CHEBI:139454, HMS2270H05, NCGC00180782-01, LS-14857, NS00097640, SR-01000758946, SR-01000758946-3, BRD-A01088251-001-01-5, 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)chromone, 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one, 6-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one
Theoretical properties:
molecular_formula: C21H20O10
molecular_weight: 432.4 g/mol
exact_mass: 432.10564683 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 7
hydrogen_bond_acceptor_count: 10
rotatable_bond_count: 3
heavy_atom_count: 31
topological_polar_surface_area: 177 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]hexitol is a C-glycosyl compound and a member of flavonoids.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
Compound: 93223-46-2
SMILES: C1(C(C2CC2)C1)(C3CC3)C
InChIKey: GTKAAVZEFUFXDD-UHFFFAOYSA-N
Synonyms: 93223-46-2, RefChem:1051383, 1'-Methyl-1,1':2',1''-tercyclopropane, Syntin, 1-Methyl-1,2-dicyclopropylcyclopropane, cis-1-Methyl-1,2-dicyclopropylcyclopropane, SCHEMBL29382773, DTXSID90333879, trans-1-Methyl-1,2-dicyclopropylcyclopropane, Q408418, 2~1~-Methyl-1~1~,2~1~:2~2~,3~1~-tercyclopropane
Theoretical properties:
molecular_formula: C10H16
molecular_weight: 136.23 g/mol
exact_mass: 136.125200510 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 0
rotatable_bond_count: 2
heavy_atom_count: 10
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: Syntin is a hydrocarbon with the molecular formula C10H16 used as a rocket fuel.  It is a mixture of four stereoisomers (see below). It has a density of 0.851 g/mL, and a boiling point of 158 °C.  Due to the presence of three strained cyclopropane rings, the molecule has a highly positive enthalpy of formation: ΔfH°(l)= 133 kJ/mol  (980 kJ/kg, the average value for the isomeric mixture), bringing additional energy into the combustion process. It has advantages over the traditional hydrocarbon fuels, such as RP-1, due to higher density, lower viscosity and higher specific heat of oxidation.
Syntin was used in the Soviet Union and later Russia as fuel for the Soyuz-U2 rocket from 1982 until 1995.
It was first synthesized in the USSR in 1959 and brought to mass production in the 1970s.  It was prepared in a multi-step synthetic process from easily obtained acetylcyclopropane (the 3rd molecule):

After dissolution of the USSR, the production of this fuel was halted due to the expense of the synthesis. On September 3, 1995, Soyuz TM-22, the seventy-first and last Soyuz-U2 rocket launched, being the last rocket fueled with Syntin.
Compound: 6-Hydroxyflavone
SMILES: O=c1c2c(oc(c1)-c3ccccc3)ccc(c2)O
InChIKey: GPZYYYGYCRFPBU-UHFFFAOYSA-N
Synonyms: 6-Hydroxyflavone, 6665-83-4, 6-hydroxy-2-phenylchromen-4-one, 6-Hydroxy-2-phenyl-4-benzopyrone, NSC-26744, 148S6Z78H6, DTXSID8022327, RefChem:543430, DTXCID202327, 229-704-8, 6-Hydroxy-2-phenyl-4H-chromen-4-one, 6-Monohydroxyflavone, 6-Hydroxy-2-phenyl-chromen-4-one, MLS000738065, 4H-1-Benzopyran-4-one, 6-hydroxy-2-phenyl-, MFCD00017329, CHEMBL138649, NSC26744, 4H-1-Benzopyran-4-one,6-hydroxy-2-phenyl-, EINECS 229-704-8, NSC 26744, UNII-148S6Z78H6, 6-hydroxy-flavone, 6-Hydroxyflavone, 10, 6-Hydroxy-2-phenyl-4H-1-benzopyran-4-one, 6-Hydroxyflavone, 98%, 6-Hydroxyflavone (6-HF), HYDROXYFLAVONE, 6-, FLAVONE, 6-HYDROXY-, BIDD:ER0190, SCHEMBL676594, MEGxp0_001697, orb1304820, SCHEMBL28100458, SCHEMBL29628861, ACon1_002026, CHEBI:34472, HMS2764K07, HMS3885I17, 6-hydroxy-2-phenylchromen-4-one;, HY-N7110, BDBM50081950, s3634, SBB000766, AKOS002670169, CCG-214625, EBC-466046, FH67779, NCGC00179903-01, NCGC00179903-03, 6-Hydroxy-2-phenyl-4H-chromen-4-one #, AS-57550, PD001907, SMR000393737, 6-hydroxy-2-phenyl-4-oxo-4H-1-benzopyran, DB-054947, CS-0030698, H0851, NS00046378, ST50307711, D90962, Q2817908, BRD-K04253610-001-01-6
Theoretical properties:
molecular_formula: C15H10O3
molecular_weight: 238.24 g/mol
exact_mass: 238.062994177 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 1
heavy_atom_count: 18
topological_polar_surface_area: 46.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 6-Hydroxyflavone is a hydroxyflavonoid.
chembl: 6-HYDROXYFLAVONE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 6-Hydroxyflavone is a flavone, a type of chemical compound. It is one of the noncompetitive inhibitors of cytochrome P450 2C9. It is reported in Crocus and leaves of Barleria prionitis Linn. (a common Acanthaceae from India).  6-Hydroxyflavone shows anxiolytic activity in a mouse model. Compared to the full agonist diazepam, 6-hydroxyflavone was approximately 200 times less potent.
Compound: Galangin
SMILES: O=c1c(O)c(oc2c1c(O)cc(c2)O)-c3ccccc3
InChIKey: VCCRNZQBSJXYJD-UHFFFAOYSA-N
Synonyms: Galangin, 548-83-4, Norizalpinin, 3,5,7-Trihydroxyflavone, 3,5,7-triOH-Flavone, 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-phenyl-, 3,5,7-Trihydroxy-2-phenyl-4-benzopyrone, 3,5,7-trihydroxy-2-phenylchromen-4-one, FLAVONE, 3,5,7-TRIHYDROXY-, 4H-Benzopyran-4-one, 3,5,7-trihydroxy-2-phenyl-, 142FWE6ECS, NSC-407229, 3,5,7-trihydroxy-2-phenyl-4H-benzopyran-4-one, CHEBI:5262, DTXSID70203288, RefChem:142148, DTXCID70125779, 208-960-4, 3,5,7-Trihydroxy-2-phenyl-4H-chromen-4-one, 3,5,7-Trihydroxy-2-phenyl-4H-1-benzopyran-4-one, MFCD00006833, NSC407229, 3,5,7-trihydroxy-2-phenyl-chromen-4-one, CHEMBL309490, TNP00099, Norizalpinin;3,5,7-Trihydroxyflavone, EINECS 208-960-4, UNII-142FWE6ECS, NSC 407229, BRN 0272179, teptochrysin, CCRIS 8471, Galangin (Standard), 3,7-Trihydroxyflavone, 5,7-Dihydroxyflavonol, GALANGIN [MI], Epitope ID:613432, 3,5,7-Trihydroxy-Flavone, GTPL410, 5-18-04-00567 (Beilstein Handbook Reference), MLS002473087, SCHEMBL117225, MEGxp0_000533, orb1303934, orb3139889, SCHEMBL29393121, ACon1_000977, cid_5281616, HY-N0382R, MSK7408, HMS2268D24, EX-A4261, HY-N0382, BDBM50049391, LMPK12111653, s5529, SBB063756, Galangin, autophagy inducing flavonoid, AKOS003672546, AC-6383, CCG-208629, CS-5619, EBC-157191, FG40127, NCGC00017220-01, NCGC00017220-02, NCGC00017220-03, NCGC00142457-01, NCGC00169794-01, AS-14766, SMR000112582, ST056288, G0370, NS00018339, 3,5,7-tris(oxidanyl)-2-phenyl-chromen-4-one, 3,5,7-Trihydroxy-2-phenyl-4H-chromen-4-one #, 4H-1-Benzopyran-4-one,5,7-trihydroxy-2-phenyl-, SR-05000002165, Q2456591, SR-05000002165-2, BRD-K16503581-001-01-5, BRD-K16503581-001-04-9, Z1980554245, 3,5,7-Trihydroxy-2-phenyl-4H-1-benzopyran-4-one, 9CI, 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-phenyl- (9CI)
Theoretical properties:
molecular_formula: C15H10O5
molecular_weight: 270.24 g/mol
exact_mass: 270.05282342 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 1
heavy_atom_count: 20
topological_polar_surface_area: 87 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 217 - 218 °C
Descriptions:
pubchem: Galangin is a 7-hydroxyflavonol with additional hydroxy groups at positions 3 and 5 respectively; a growth inhibitor of breast tumor cells. It has a role as an antimicrobial agent, an EC 3.1.1.3 (triacylglycerol lipase) inhibitor and a plant metabolite. It is a trihydroxyflavone and a 7-hydroxyflavonol.
chebi: A 7-hydroxyflavonol with additional hydroxy groups at positions 3 and 5 respectively; a growth inhibitor of breast tumor cells.
chembl: GALANGIN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Galangin is a flavonol, a type of flavonoid.
Compound: Kaempferide
SMILES: O=c1c(O)c(oc2c1c(O)cc(c2)O)-c3ccc(OC)cc3
InChIKey: SQFSKOYWJBQGKQ-UHFFFAOYSA-N
Synonyms: Kaempferide, 491-54-3, 4'-Methylkaempferol, 4'-O-Methylkaempferol, Kaempferol 4'-methyl ether, 3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one, 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-, 508XL61MPD, 3 5 7-trihydroxy-4'-methoxyflavone, NSC-407294, CHEBI:6099, DTXSID9034155, RefChem:150774, DTXCID7014155, 207-738-4, Kaempferid, 3,5,7-Trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one, Campheride, Kaempferol 4'-O-methyl ether, KAMPFERIDE, 5,7-Dihydroxy-4'-methoxyflavonol, 3,5,7-Trihydroxy-4'-methoxyflavone, 4'-Methoxy-3,5,7-trihydroxyflavone, NSC 407294, 3,5,7-Trihydroxy-2-(4-methoxyphenyl)-4-benzopyrone, CHEMBL40919, FLAVANONE, 4'-METHOXY-3,5,7-TRIHYDROXY-, NSC407294, 3,5,7-Trihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one, Kaemperide, Kampheride, Kempferide, 4'-Methoxykaempferol, EINECS 207-738-4, BRN 0305378, UNII-508XL61MPD, Kaemferide, Flavone, 3,5,7-trihydroxy-4'-methoxy-, Kaempferide (AS), MFCD00016771, dihydroxymethoxyflavone, 4'-Methoxy-3',5,7-trihydroxyflavone, Kaempferide (Standard), Kaempferol 4''-methyl ether, 5-18-05-00253 (Beilstein Handbook Reference), SCHEMBL426774, orb1303723, orb3140595, Kaempferide, analytical standard, SCHEMBL29371282, HMS3746E09, MSK40132, BDBM50084978, HY-15449R, LMPK12110563, s3879, Flavone,5,7-trihydroxy-4'-methoxy-, 5,7,3-trihydroxy-4'-methoxy flavone, AKOS015903441, 3,5,7-Trihydroxy-4'-methoxy-Flavone, CCG-267464, CS-0957, EBC-444076, FT66491, 4'-Methoxy-3,5,7-trihydroxy-Flavanone, NCGC00379085-03, AC-30805, BS-16895, DA-74704, HY-15449, ST085668, K0057, NS00031862, WLN: T66 BO EVJ CR DO1& DQ GQ IQ, Q3116775, 1.3,5,7-Trihydroxy-2-(4-methoxyphenyl)-4-benzopyrone, 3,5,7-Trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one #, 4H-1-Benzopyran-4-one,5,7-trihydroxy-2-(4-methoxyphenyl)-, 3,5,7-Trihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one, 9CI
Theoretical properties:
molecular_formula: C16H12O6
molecular_weight: 300.26 g/mol
exact_mass: 300.06338810 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 2
heavy_atom_count: 22
topological_polar_surface_area: 96.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 227 - 229 °C
Descriptions:
pubchem: Kaempferide is a monomethoxyflavone that is the 4'-O-methyl derivative of kaempferol. It has a role as a metabolite and an antihypertensive agent. It is a monomethoxyflavone, a trihydroxyflavone and a 7-hydroxyflavonol. It is functionally related to a kaempferol. It is a conjugate acid of a kaempferide(1-).
chebi: A monomethoxyflavone that is the 4'-<em>O</em>-methyl derivative of kaempferol.
chembl: KAEMPFERIDE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Kaempferide is an O-methylated flavonol, a type of chemical compound. It can be found in Kaempferia galanga (aromatic ginger). It has been noted to inhibit pancreatic cancer growth by blockading an EGFR-related pathway.