3-{2-[(1H-indol-3-yl)methyl]-2,3-dimethyl-6-(propan-2-ylidene)cyclohexyl}propan-1-ol
AlkaPlorer ID: AK083147
Synonym: None
IUPAC Name: 3-[(1S,2R,3R)-2-(1H-indol-3-ylmethyl)-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propan-1-ol
Structure
SMILES: CC(C)=C1CC[C@@H](C)[C@@](C)(CC2=CNC3=CC=CC=C23)[C@@H]1CCCO
InChI: InChI=1S/C23H33NO/c1-16(2)19-12-11-17(3)23(4,21(19)9-7-13-25)14-18-15-24-22-10-6-5-8-20(18)22/h5-6,8,10,15,17,21,24-25H,7,9,11-14H2,1-4H3/t17-,21-,23-/m1/s1
InChIKey: XKDCSKJZLVZVRD-ODOSVJCGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Greenwayodendron suaveolens | Greenwayodendron | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 339.52300000000014
TPSA？: 36.02
MolLogP？: 5.871700000000006
Number of H-Donors: 2
Number of H-Acceptors: 1
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Staphylococcus aureus | Staphylococcus aureus | MIC | 19.0 | ug.mL-1 | 10.1021/np1001225 |