(+)-Preisocalamenediol
Representations & DB's id
| ||
| ChEBI: | CHEBI:68149 | |
|---|---|---|
| ChEMBL: | CHEMBL1814553 | |
| PubChem: | 12305706 | |
| IUPAC: | (2S,5E)-5-methyl-9-methylidene-2-propan-2-ylcyclodec-5-en-1-one | |
| Standard InChI: | InChI=1S/C15H24O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h6,11,14H,4-5,7-10H2,1-3H3/b12-6+/t14-/m0/s1 | |
| Standard InChI Key: | QTFJNWQFKJITEE-CYIWUNGXSA-N | |
| SMILES: | C=C1CC/C=C(C)/CC[C@H](C(=O)C1)C(C)C | |
Molecular propeties
| ||
| AlogP: | 4.29 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 1 | |
| Molecular Weight: | 220.18 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.667 | |
| Number of carbons: | 15 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|