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4',5-Dihydroxy-7,8-dimethoxyflavone

PubChem CID: 14585506

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Compound Synonyms 4',5-Dihydroxy-7,8-dimethoxyflavone, Isoscutellarein 7,8-dimethyl ether, 6608-33-9, 5-hydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxy-4H-chromen-4-one, SCHEMBL6359647, CHEBI:175013, DTXSID601294804, LMPK12111365, 5,4'-dihydroxy-7,8-dimethoxyflavone, 5,4a(2)-Dihydroxy-7,8-dimethoxyflavone, 5-hydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxychromen-4-one
Topological Polar Surface Area 85.2
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 23.0
Description obtained from leaves and stems of Scutellaria subspecies and from peel of Citrus reticulata (mandarin). 7,8-Dimethylisoscutellarein is found in citrus.
Isotope Atom Count 0.0
Molecular Complexity 468.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 5-hydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxychromen-4-one
Prediction Hob 1.0
Class Flavonoids
Xlogp 2.0
Superclass Phenylpropanoids and polyketides
Subclass O-methylated flavonoids
Molecular Formula C17H14O6
Prediction Swissadme 0.0
Inchi Key FTFPXINQVCVDEY-UHFFFAOYSA-N
Fcsp3 0.1176470588235294
Logs -3.818
Rotatable Bond Count 3.0
State Solid
Logd 2.807
Synonyms 4',5-Dihydroxy-7,8-dimethoxyflavone, 7,8-Dimethylisoscutellarein, Isoscutellarein 7,8-dimethyl ether
Compound Name 4',5-Dihydroxy-7,8-dimethoxyflavone
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 314.079
Formal Charge 0.0
Monoisotopic Mass 314.079
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 314.29
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteropolycyclic compounds
Esol -3.4724992086956528
Inchi InChI=1S/C17H14O6/c1-21-14-8-12(20)15-11(19)7-13(23-17(15)16(14)22-2)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3
Smiles COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=CC=C(C=C3)O)OC
Nring 3.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent 8-O-methylated flavonoids