Dehydrocostuslactone
Representations & DB's id
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| ChEBI: | CHEBI:244418 | |
|---|---|---|
| ChEMBL: | CHEMBL88985 | |
| PubChem: | 73174 | |
| IUPAC: | (3aS,6aR,9aR,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one | |
| Standard InChI: | InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1 | |
| Standard InChI Key: | NETSQGRTUNRXEO-XUXIUFHCSA-N | |
| SMILES: | C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@H]1[C@@H]2C(=C)CC1 | |
Molecular propeties
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| AlogP: | 3.02 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 3 | |
| Molecular Weight: | 230.13 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.533 | |
| Number of carbons: | 15 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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