Puqietinone; 3-Ketone
AlkaPlorer ID: AK026486
Synonym: Puqietinedione
IUPAC Name: 17-[1-(1,5-dimethylpiperidin-2-yl)ethyl]-10,13-dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
Structure
SMILES: CC1CCC(C(C)C2CCC3C4CC(=O)C5CC(=O)CCC5(C)C4CCC23C)N(C)C1
InChI: InChI=1S/C28H45NO2/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/h17-18,20-25H,6-16H2,1-5H3
InChIKey: QESRZJOKUIZYPR-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fritillaria puqiensis | Fritillaria | Liliaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 427.6730000000003
TPSA？: 37.38
MolLogP？: 5.759800000000007
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|