5,7,3',4'-Tetrahydroxy-6,5'-dimethoxyflavone
PubChem CID: 5379286
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| Compound Synonyms | 5,7,3',4'-Tetrahydroxy-6,5'-dimethoxyflavone, HVPOSSMBPDMQAY-UHFFFAOYSA-N, LMPK12111268, 2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one, 79154-47-5, 2-(3,4-Dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-6-methoxy-4H-chromen-4-one # |
|---|---|
| Topological Polar Surface Area | 126.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 535.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C17H14O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HVPOSSMBPDMQAY-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.656 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.832 |
| Compound Name | 5,7,3',4'-Tetrahydroxy-6,5'-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 | -3.1824042000000006 |
| Inchi | InChI=1S/C17H14O8/c1-23-13-4-7(3-9(19)15(13)21)11-5-8(18)14-12(25-11)6-10(20)17(24-2)16(14)22/h3-6,19-22H,1-2H3 |
| Smiles | COC1=CC(=CC(=C1O)O)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chrysanthemum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients