5-Hydroxy-3,6,7,8,3',4'-hexamethoxyflavone
PubChem CID: 136417
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| Compound Synonyms | 1176-88-1, 5-OH-HxMF, 5-Hydroxy-3,6,7,8,3',4'-hexamethoxyflavone, 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-4H-chromen-4-one, UNII-07JTS22V9J, 07JTS22V9J, 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxychromen-4-one, NSC-618935, 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-, CHEMBL422237, 5-Hydroxy-3,6,7,8,3'4'-hexamethoxyflavone, DTXSID50151834, 5-hydroxy-3,3',4',6,7,8-hexamethoxyflavone, FLAVONE, 5-HYDROXY-3,3',4',6,7,8-HEXAMETHOXY-, MLS000876958, SCHEMBL507435, cid_136417, MEGxp0_001193, DTXCID7074325, ACon1_000728, CHEBI:191600, HMS2267M18, BDBM50064899, LMPK12113343, NSC618935, AKOS030553583, DA-49885, NCI60_005671, SMR000440656, HY-121711, CS-0083100, 5-hydroxy-3,6,7,8,3'',4''-hexamethoxyflavone, BRD-K29611061-001-01-0, Q27236309, 2-(3,4-Dimethoxy-phenyl)-5-hydroxy-3,6,7,8-tetramethoxy-chromen-4-one, 2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one |
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| Topological Polar Surface Area | 102.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 30.0 |
| Description | Isolated from peel of orange (Citrus sinensis). 5-Hydroxy-3,3',4',6,7,8-hexamethoxyflavone is found in sweet orange and citrus. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 636.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxychromen-4-one |
| Nih Violation | False |
| Class | Flavonoids |
| Xlogp | 3.4 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | O-methylated flavonoids |
| Molecular Formula | C21H22O9 |
| Inchi Key | JDVPHCLYMGBZLE-UHFFFAOYSA-N |
| Rotatable Bond Count | 7.0 |
| Synonyms | 2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one, 5-Hydroxy-3,3',4',6,7,8-hexamethoxyflavone, 5-Hydroxy-3,6,7,8,3',4'-hexamethoxyflavone, 5-Hydroxy-3,6,7,8,3'4'-hexamethoxyflavone |
| Substituent Name | 8-methoxyflavonoid-skeleton, 7-methoxyflavonoid-skeleton, 6-methoxyflavonoid-skeleton, 4p-methoxyflavonoid-skeleton, 3-methoxyflavonoid-skeleton, 3p-methoxyflavonoid-skeleton, Hydroxyflavonoid, Flavone, 5-hydroxyflavonoid, Chromone, O-dimethoxybenzene, Dimethoxybenzene, 1-benzopyran, Methoxyphenol, Benzopyran, Hydroxyquinol derivative, Methoxybenzene, Phenol ether, Anisole, Pyranone, Alkyl aryl ether, Benzenoid, Pyran, Monocyclic benzene moiety, Heteroaromatic compound, Vinylogous acid, Oxacycle, Organoheterocyclic compound, Ether, Hydrocarbon derivative, Organooxygen compound, Aromatic heteropolycyclic compound |
| Compound Name | 5-Hydroxy-3,6,7,8,3',4'-hexamethoxyflavone |
| Kingdom | Organic compounds |
| Exact Mass | 418.126 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 418.126 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 418.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C21H22O9/c1-24-11-8-7-10(9-12(11)25-2)16-18(26-3)14(22)13-15(23)19(27-4)21(29-6)20(28-5)17(13)30-16/h7-9,23H,1-6H3 |
| Smiles | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC)OC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all