(6Ar,11Ar)-1-Methoxy-10-(3-Methylbut-2-Enyl)-6A,11A-Dihydro-6H-[1]Benzofuro[3,2-C]Chromene-3,9-Diol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1726462 | |
| PubChem: | 480873 | |
| IUPAC: | (6aR,11aR)-1-methoxy-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol | |
| Standard InChI: | InChI=1S/C21H22O5/c1-11(2)4-5-14-16(23)7-6-13-15-10-25-18-9-12(22)8-17(24-3)19(18)21(15)26-20(13)14/h4,6-9,15,21-23H,5,10H2,1-3H3/t15-,21+/m0/s1 | |
| Standard InChI Key: | YKTZRMXYANFKQR-YCRPNKLZSA-N | |
| SMILES: | COc1cc(O)cc2c1[C@@H]1Oc3c([C@@H]1CO2)ccc(c3CC=C(C)C)O | |
Molecular propeties
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| AlogP: | 4.22 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 4 | |
| Molecular Weight: | 354.15 | |
| Topological polar surface area: | 68.2 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.333 | |
| Number of carbons: | 21 | |