Ent-Spathulenol
Representations & DB's id
| ||
| ChEBI: | CHEBI:67836 | |
|---|---|---|
| ChEMBL: | CHEMBL1774433 | |
| PubChem: | 13854255 | |
| IUPAC: | (1aS,4aS,7R,7aS,7bS)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol | |
| Standard InChI: | InChI=1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h10-13,16H,1,5-8H2,2-4H3/t10-,11+,12+,13+,15-/m1/s1 | |
| Standard InChI Key: | FRMCCTDTYSRUBE-HYFYGGESSA-N | |
| SMILES: | C=C1CC[C@H]2[C@@H]([C@@H]3[C@@H]1CC[C@@]3(C)O)C2(C)C | |
Molecular propeties
| ||
| AlogP: | 3.39 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 3 | |
| Molecular Weight: | 220.18 | |
| Topological polar surface area: | 20.2 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.867 | |
| Number of carbons: | 15 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|