Warburganal
Representations & DB's id
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| ChEBI: | CHEBI:10032 | |
|---|---|---|
| ChEMBL: | CHEMBL452492 | |
| PubChem: | 72502 | |
| IUPAC: | (1S,4aS,8aS)-1-hydroxy-5,5,8a-trimethyl-4a,6,7,8-tetrahydro-4H-naphthalene-1,2-dicarbaldehyde | |
| Standard InChI: | InChI=1S/C15H22O3/c1-13(2)7-4-8-14(3)12(13)6-5-11(9-16)15(14,18)10-17/h5,9-10,12,18H,4,6-8H2,1-3H3/t12-,14-,15+/m0/s1 | |
| Standard InChI Key: | QGMWDUUHVVLHNP-AEGPPILISA-N | |
| SMILES: | O=CC1=CC[C@@H]2[C@]([C@@]1(O)C=O)(C)CCCC2(C)C | |
Molecular propeties
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| AlogP: | 2.28 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| 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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