7-Hydroxy-5,6,4'-trimethoxyisoflavone
PubChem CID: 10782482
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| Compound Synonyms | 5-Methoxyafrormosin, 7-Hydroxy-5,6,4'-trimethoxyisoflavone, CHEMBL457449, LMPK12050392, 7-hydroxy-4' ,5,6-trimethoxyisoflavone |
|---|---|
| Topological Polar Surface Area | 74.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 482.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-5,6-dimethoxy-3-(4-methoxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C18H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CHDLFAIVPUPGAT-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.513 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.707 |
| Compound Name | 7-Hydroxy-5,6,4'-trimethoxyisoflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 328.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 328.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3334173333333332 |
| Inchi | InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)12-9-24-14-8-13(19)17(22-2)18(23-3)15(14)16(12)20/h4-9,19H,1-3H3 |
| Smiles | COC1=CC=C(C=C1)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Baphia Bancoensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all