This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

2-(3,4-Dimethoxyphenyl)-7-hydroxy-5,6,8-trimethoxy-4H-1-benzopyran-4-one

PubChem CID: 10452846

Connections displayed (default: 10).
Loading graph...

Compound Synonyms UNII-8YB4C23QVN, 8YB4C23QVN, 2-(3,4-Dimethoxyphenyl)-7-hydroxy-5,6,8-trimethoxy-4H-1-benzopyran-4-one, 149402-88-0, 2-(3,4-Dimethoxyphenyl)-7-hydroxy-5,6,8-trimethoxy-4H-chromen-4-one, 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-7-hydroxy-5,6,8-trimethoxy-, 7-Hydroxy-3',4',5,6,8-pentamethoxyflavone, Compound NP-002941, SCHEMBL25225757, CHEBI:175934, DTXSID901150108, AKOS040739921, 7-hydroxy-5,6,8,3',4'-pentamethoxyflavone, Q27271200, 2-(3,4-dimethoxyphenyl)-7-hydroxy-5,6,8-trimethoxychromen-4-one
Topological Polar Surface Area 92.7
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 28.0
Description Constituent of mandarin orange (Citrus reticulata). 7-Hydroxy-3',4',5,6,8-pentamethoxyflavone is found in citrus.
Isotope Atom Count 0.0
Molecular Complexity 579.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 2-(3,4-dimethoxyphenyl)-7-hydroxy-5,6,8-trimethoxychromen-4-one
Prediction Hob 1.0
Class Flavonoids
Xlogp 2.7
Superclass Phenylpropanoids and polyketides
Subclass O-methylated flavonoids
Molecular Formula C20H20O8
Prediction Swissadme 0.0
Inchi Key XGOWVPRWNRKCSL-UHFFFAOYSA-N
Fcsp3 0.25
Logs -4.451
Rotatable Bond Count 6.0
State Solid
Logd 2.565
Synonyms 7-Hydroxy-3',4',5,6,8-pentamethoxyflavone
Compound Name 2-(3,4-Dimethoxyphenyl)-7-hydroxy-5,6,8-trimethoxy-4H-1-benzopyran-4-one
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 388.116
Formal Charge 0.0
Monoisotopic Mass 388.116
Hydrogen Bond Acceptor Count 8.0
Molecular Weight 388.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteropolycyclic compounds
Esol -3.465463542857144
Inchi InChI=1S/C20H20O8/c1-23-12-7-6-10(8-14(12)24-2)13-9-11(21)15-17(25-3)19(26-4)16(22)20(27-5)18(15)28-13/h6-9,22H,1-5H3
Smiles COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)O)OC)OC
Nring 3.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent 8-O-methylated flavonoids