Calamusin G
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2063123 | |
| PubChem: | 60156149 | |
| IUPAC: | (2S,4aS,5R,8aS)-4a-hydroxy-2,5-dimethyl-8-propan-2-ylidene-2,3,4,5,6,8a-hexahydronaphthalene-1,7-dione | |
| Standard InChI: | InChI=1S/C15H22O3/c1-8(2)12-11(16)7-10(4)15(18)6-5-9(3)14(17)13(12)15/h9-10,13,18H,5-7H2,1-4H3/t9-,10+,13+,15-/m0/s1 | |
| Standard InChI Key: | VHUWMVDDOUSDKF-VWFLFCASSA-N | |
| SMILES: | C[C@H]1CC[C@]2([C@@H](C1=O)C(=C(C)C)C(=O)C[C@H]2C)O | |
Molecular propeties
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| AlogP: | 2.28 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 2 | |
| Molecular Weight: | 250.16 | |
| Topological polar surface area: | 54.4 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.733 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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