Gnf-Pf-1841
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL586685 | |
| PubChem: | 177175 | |
| IUPAC: | (1aR,6R,7R,7aR,7bR)-6-hydroxy-7,7a-dimethyl-1a-prop-1-en-2-yl-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-2-one | |
| Standard InChI: | InChI=1S/C15H20O3/c1-8(2)15-12(17)7-10-5-6-11(16)9(3)14(10,4)13(15)18-15/h7,9,11,13,16H,1,5-6H2,2-4H3/t9-,11+,13+,14+,15-/m0/s1 | |
| Standard InChI Key: | PCBDXYONDOCJPR-OANMRLRGSA-N | |
| SMILES: | C[C@@]12[C@H]3O[C@@]3(C(=C)C)C(=O)C=C2CC[C@H]([C@@H]1C)O | |
Molecular propeties
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| AlogP: | 2.01 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 248.14 | |
| Topological polar surface area: | 49.8 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.667 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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