5,3''-Dihydroxy-7,4'',5''-trimethoxyisoflavone
PubChem CID: 44566589
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| Compound Synonyms | CHEMBL504481, BDBM50250509, 5,3''-dihydroxy-7,4'',5''-trimethoxyisoflavone |
|---|---|
| Topological Polar Surface Area | 105.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 505.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C17H14O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LVBRSTWDERQTLT-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.542 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.589 |
| Compound Name | 5,3''-Dihydroxy-7,4'',5''-trimethoxyisoflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 330.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.074 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 330.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3297437333333337 |
| Inchi | InChI=1S/C17H14O7/c1-22-14-4-8(3-12(20)17(14)23-2)10-7-24-13-6-9(18)5-11(19)15(13)16(10)21/h3-7,18-20H,1-2H3 |
| Smiles | COC1=CC(=CC(=C1OC)O)C2=COC3=CC(=CC(=C3C2=O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ceiba Pentandra (Plant) Rel Props:Source_db:cmaup_ingredients