Costunolide
Representations & DB's id
| ||
| ChEBI: | CHEBI:3900 | |
|---|---|---|
| ChEMBL: | CHEMBL86416 | |
| PubChem: | 5281437 | |
| IUPAC: | (3aS,6E,10E,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one | |
| Standard InChI: | InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/b10-5+,11-9+/t13-,14+/m0/s1 | |
| Standard InChI Key: | HRYLQFBHBWLLLL-AHNJNIBGSA-N | |
| SMILES: | C/C/1=C[C@H]2OC(=O)C(=C)[C@@H]2CC/C(=C/CC1)/C | |
Molecular propeties
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| AlogP: | 3.55 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 2 | |
| Molecular Weight: | 232.15 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.533 | |
| Number of carbons: | 15 | |