8-(5-Carboxy-2-methoxyphenyl)-5,7-dihydroxy-4'-methoxyflavone
PubChem CID: 91602664
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| Compound Synonyms | 8-(5-carboxy-2-methoxyphenyl)-5,7-dihydroxy-4'-methoxyflavone |
|---|---|
| Topological Polar Surface Area | 123.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 728.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-4-methoxybenzoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C24H18O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZCKYJHDZQINADF-UHFFFAOYSA-N |
| Fcsp3 | 0.0833333333333333 |
| Logs | -3.609 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.277 |
| Compound Name | 8-(5-Carboxy-2-methoxyphenyl)-5,7-dihydroxy-4'-methoxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 434.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 434.1 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 434.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.803680400000001 |
| Inchi | InChI=1S/C24H18O8/c1-30-14-6-3-12(4-7-14)20-11-18(27)22-17(26)10-16(25)21(23(22)32-20)15-9-13(24(28)29)5-8-19(15)31-2/h3-11,25-26H,1-2H3,(H,28,29) |
| Smiles | COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C(=O)O)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients