(2R)-2,7,8-Trimethyl-2-[(4R,8R)-4,8,12-Trimethyltridecyl]-3,4-Dihydrochromen-6-Ol
Representations & DB's id
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| ChEBI: | CHEBI:18185 | |
|---|---|---|
| ChEMBL: | CHEMBL2151591 | |
| PubChem: | 92729 | |
| IUPAC: | (2R)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol | |
| Standard InChI: | InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1 | |
| Standard InChI Key: | QUEDXNHFTDJVIY-DQCZWYHMSA-N | |
| SMILES: | C[C@H](CCC[C@@H](CCCC(C)C)C)CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2)O)C | |
Molecular propeties
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| AlogP: | 8.53 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 12 | |
| Number of rings: | 2 | |
| Molecular Weight: | 416.37 | |
| Topological polar surface area: | 29.5 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.786 | |
| Number of carbons: | 28 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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