7,8,3',4'-Trihydroxy-3,5-dimethoxyflavone
PubChem CID: 5323591
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| Compound Synonyms | 7,8,3',4'-Trihydroxy-3,5-dimethoxyflavone, Gossypetin-3,5-dimethyl ether, LMPK12113264, 2-(3,4-Dihydroxy-phenyl)-7,8-dihydroxy-3,5-dimethoxy-chromen-4-one, InChI=1/C17H14O8/c1-23-11-6-10(20)13(21)16-12(11)14(22)17(24-2)15(25-16)7-3-4-8(18)9(19)5-7/h3-6,18-21H,1-2H |
|---|---|
| Topological Polar Surface Area | 126.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 547.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-3,5-dimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C17H14O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KNEPLXVAXBQPGZ-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.746 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.084 |
| Compound Name | 7,8,3',4'-Trihydroxy-3,5-dimethoxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 346.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 346.069 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 346.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1005042000000005 |
| Inchi | InChI=1S/C17H14O8/c1-23-11-6-10(20)13(21)16-12(11)14(22)17(24-2)15(25-16)7-3-4-8(18)9(19)5-7/h3-6,18-21H,1-2H3 |
| Smiles | COC1=C2C(=C(C(=C1)O)O)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eugenia Edulis (Plant) Rel Props:Source_db:cmaup_ingredients