Puqienine B
AlkaPlorer ID: AK144441
Synonym: '', 'puqienine B'
IUPAC Name: (3S,4aS,6aR,6bS,9S,11aS,11bR)-3-hydroxy-9-[(1R)-1-[(2R,3R,5R)-3-hydroxy-1,5-dimethylpiperidin-2-yl]ethyl]-10,11b-dimethyl-2,3,4,4a,6,6a,6b,7,8,9,11,11a-dodecahydro-1H-benzo[a]fluoren-5-one
Structure
SMILES: CC1=C2C[C@H]3[C@@H](CC(=O)[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@H]1[C@@H](C)[C@@H]1[C@H](O)C[C@@H](C)CN1C
InChI: InChI=1S/C28H45NO3/c1-15-10-26(32)27(29(5)14-15)17(3)19-6-7-20-21(16(19)2)12-23-22(20)13-25(31)24-11-18(30)8-9-28(23,24)4/h15,17-20,22-24,26-27,30,32H,6-14H2,1-5H3/t15-,17-,18+,19-,20-,22+,23+,24-,26-,27-,28-/m1/s1
InChIKey: RITHKXDOKOLLCZ-YIELZTQKSA-N
Reference
Steroidal Alkaloids from the Bulbs of <i>Fritillaria </i><i>p</i><i>uqiensis</i>
PubChem CID: 162861826
LOTUS: LTS0053930
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fritillaria puqiensis | Fritillaria | Liliaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 443.67200000000025
TPSA？: 60.77
MolLogP？: 4.442500000000004
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|