(2S)-7,4'-Dihydroxy-3'-Prenylflavan
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL456062 | |
| PubChem: | 10990534 | |
| IUPAC: | (2S)-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-3,4-dihydro-2H-chromen-7-ol | |
| Standard InChI: | InChI=1S/C20H22O3/c1-13(2)3-4-15-11-16(6-9-18(15)22)19-10-7-14-5-8-17(21)12-20(14)23-19/h3,5-6,8-9,11-12,19,21-22H,4,7,10H2,1-2H3/t19-/m0/s1 | |
| Standard InChI Key: | HORNIGLAKNPZGF-IBGZPJMESA-N | |
| SMILES: | CC(=CCc1cc(ccc1O)[C@@H]1CCc2c(O1)cc(cc2)O)C | |
Molecular propeties
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| AlogP: | 4.67 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 3 | |
| Molecular Weight: | 310.16 | |
| Topological polar surface area: | 49.7 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.3 | |
| Number of carbons: | 20 | |