(6Ar,10R,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromene-1,10-diol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3586106 | |
| PubChem: | 102506267 | |
| IUPAC: | (6aR,10R,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromene-1,10-diol | |
| Standard InChI: | InChI=1S/C21H30O3/c1-5-6-7-8-14-11-16(22)19-17(12-14)24-21(3,4)15-10-9-13(2)20(23)18(15)19/h9,11-12,15,18,20,22-23H,5-8,10H2,1-4H3/t15-,18-,20+/m1/s1 | |
| Standard InChI Key: | KQQMZTULVOWZJR-ZTNFWEORSA-N | |
| SMILES: | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2[C@@H](O)C(=CC1)C)(C)C | |
Molecular propeties
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| AlogP: | 4.71 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 330.22 | |
| Topological polar surface area: | 49.7 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.619 | |
| Number of carbons: | 21 | |