Puqienine A
AlkaPlorer ID: AK089754
Synonym: None
IUPAC Name: (3S,4aS,5R,6aR,6bS,9R,11aS,11bR)-9-[(1R)-1-[(2R,3R,5R)-3-hydroxy-1,5-dimethylpiperidin-2-yl]ethyl]-10,11b-dimethyl-1,2,3,4,4a,5,6,6a,6b,7,8,9,11,11a-tetradecahydrobenzo[a]fluorene-3,5-diol
Structure
SMILES: CC1=C2C[C@H]3[C@@H](C[C@@H](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/C28H47NO3/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/h15,17-20,22-27,30-32H,6-14H2,1-5H3/t15-,17-,18+,19+,20-,22+,23+,24-,25-,26-,27-,28-/m1/s1
InChIKey: GRTDQRFJWHCECY-SAYBQXENSA-N
Reference
Steroidal Alkaloids from the Bulbs of <i>Fritillaria </i><i>p</i><i>uqiensis</i>
PubChem CID: 11351298
LOTUS: LTS0246390
NPASS: NPC289140
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fritillaria puqiensis | Fritillaria | Liliaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 445.6880000000002
TPSA？: 63.93
MolLogP？: 4.234300000000004
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | Activity | nan | None | 10.1021/np0497649 |
| Homo sapiens | BGC-823 | Activity | nan | None | 10.1021/np0497649 |
| Homo sapiens | HL-60 | Activity | nan | None | 10.1021/np0497649 |
| Homo sapiens | SMMC-7721 | Activity | nan | None | 10.1021/np0497649 |
| Mus musculus | Mus musculus | Activity | 14.0 | None | 10.1021/np0497649 |
| Mus musculus | Mus musculus | Activity | 18.0 | None | 10.1021/np0497649 |