Calamusin B
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2063010 | |
| PubChem: | 60156051 | |
| IUPAC: | (1S,5S,6S,7S,10R)-7-hydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-11-oxatricyclo[5.3.1.01,5]undec-2-en-4-one | |
| Standard InChI: | InChI=1S/C15H22O4/c1-8-5-6-15(18)9(2)11-12(16)10(13(3,4)17)7-14(8,11)19-15/h7-9,11,17-18H,5-6H2,1-4H3/t8-,9+,11-,14-,15+/m1/s1 | |
| Standard InChI Key: | MKHDBFQTIUPTFT-DXMNWHDFSA-N | |
| SMILES: | O=C1C(=C[C@@]23[C@@H]1[C@H](C)[C@](O2)(O)CC[C@H]3C)C(O)(C)C | |
Molecular propeties
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| AlogP: | 1.41 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 266.15 | |
| Topological polar surface area: | 66.8 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.8 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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