3'-Hydroxydihydroformononetin
PubChem CID: 13963918
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3'-Hydroxydihydroformononetin, 3',7-Dihydroxy-4'-methoxyisoflavanone, CHEMBL1087011, CHEBI:174721, DTXSID101147359, LMPK12050449, 67492-31-3, 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one, 2,3-Dihydro-7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 385.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C16H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YGHJHKYZTVTYQW-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -3.865 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.361 |
| Compound Name | 3'-Hydroxydihydroformononetin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 286.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.373711742857142 |
| Inchi | InChI=1S/C16H14O5/c1-20-14-5-2-9(6-13(14)18)12-8-21-15-7-10(17)3-4-11(15)16(12)19/h2-7,12,17-18H,8H2,1H3 |
| Smiles | COC1=C(C=C(C=C1)C2COC3=C(C2=O)C=CC(=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Parviflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all