Coronarin A
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL64407 | |
| PubChem: | 24851535 | |
| IUPAC: | (2S,4R,4aS,8aS)-4-[(E)-2-(furan-3-yl)ethenyl]-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol | |
| Standard InChI: | InChI=1S/C20H28O2/c1-14-16(7-6-15-8-11-22-13-15)20(4)10-5-9-19(2,3)18(20)12-17(14)21/h6-8,11,13,16-18,21H,1,5,9-10,12H2,2-4H3/b7-6+/t16-,17-,18-,20+/m0/s1 | |
| Standard InChI Key: | RHCBUXSXDFNUAG-UDMCIFMYSA-N | |
| SMILES: | C=C1[C@@H](O)C[C@@H]2[C@]([C@H]1/C=C/c1cocc1)(C)CCCC2(C)C | |
Molecular propeties
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| AlogP: | 5.06 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 300.21 | |
| Topological polar surface area: | 33.4 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.6 | |
| Number of carbons: | 20 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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