Phaseollinisoflavan
Representations & DB's id
| ||
| ChEBI: | CHEBI:109 | |
|---|---|---|
| ChEMBL: | CHEMBL465812 | |
| PubChem: | 162412 | |
| IUPAC: | 6-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol | |
| Standard InChI: | InChI=1S/C20H20O4/c1-20(2)8-7-16-17(24-20)6-5-15(19(16)22)13-9-12-3-4-14(21)10-18(12)23-11-13/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1 | |
| Standard InChI Key: | UUJBHSNXZMGYBT-ZDUSSCGKSA-N | |
| SMILES: | Oc1ccc2c(c1)OC[C@H](C2)c1ccc2c(c1O)C=CC(O2)(C)C | |
Molecular propeties
| ||
| AlogP: | 4 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 4 | |
| Molecular Weight: | 324.14 | |
| Topological polar surface area: | 58.9 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.3 | |
| Number of carbons: | 20 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|