Taxusabietane A
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2282012 | |
| PubChem: | 76330776 | |
| IUPAC: | (4aS,10aR)-5-hydroxy-6-methoxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione | |
| Standard InChI: | InChI=1S/C21H28O4/c1-11(2)12-9-13-14(22)10-15-20(3,4)16(23)7-8-21(15,5)17(13)18(24)19(12)25-6/h9,11,15,24H,7-8,10H2,1-6H3/t15-,21-/m0/s1 | |
| Standard InChI Key: | YUGJHEXCGCZVTH-BTYIYWSLSA-N | |
| SMILES: | COc1c(O)c2c(cc1C(C)C)C(=O)C[C@@H]1[C@]2(C)CCC(=O)C1(C)C | |
Molecular propeties
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| AlogP: | 4.37 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 344.2 | |
| Topological polar surface area: | 63.6 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.619 | |
| Number of carbons: | 21 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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