Puqietinone
AlkaPlorer ID: AK073095
Synonym: None
IUPAC Name: (3S,5S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-[(2S,5R)-1,5-dimethylpiperidin-2-yl]ethyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Structure
SMILES: C[C@@H]1CC[C@@H]([C@@H](C)[C@@H]2CC[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)N(C)C1
InChI: InChI=1S/C28H47NO2/c1-17-6-9-25(29(5)16-17)18(2)21-7-8-22-20-15-26(31)24-14-19(30)10-12-28(24,4)23(20)11-13-27(21,22)3/h17-25,30H,6-16H2,1-5H3/t17-,18+,19+,20+,21+,22+,23+,24-,25+,27-,28-/m1/s1
InChIKey: HEOBUSMYCWXIQQ-OXZWOSNHSA-N
Source
Properties Information
Molecule Weight: 429.6890000000003
TPSA？: 40.54
MolLogP？: 5.551600000000007
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Mus musculus | Activity | 11.0 | None | 10.1021/np0497649 |
| Mus musculus | Mus musculus | Activity | 17.0 | None | 10.1021/np0497649 |