Puqietinonoside
AlkaPlorer ID: AK111905
Synonym: None
IUPAC Name: (3S,5S,8S,9S,10R,13S,14S,17R)-17-[(1S)-1-[(2R,5S)-1,5-dimethylpiperidin-2-yl]ethyl]-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]23C)N(C)C1
InChI: InChI=1S/C34H57NO7/c1-18-6-9-26(35(5)16-18)19(2)22-7-8-23-21-15-27(37)25-14-20(10-12-34(25,4)24(21)11-13-33(22,23)3)41-32-31(40)30(39)29(38)28(17-36)42-32/h18-26,28-32,36,38-40H,6-17H2,1-5H3/t18-,19-,20-,21-,22+,23-,24-,25+,26+,28+,29+,30-,31+,32+,33+,34+/m0/s1
InChIKey: GRPUWGWLJURVLD-BFSGSYDSSA-N
Reference
Steroidal Alkaloids from the Bulbs of <i>Fritillaria </i><i>p</i><i>uqiensis</i>
PubChem CID: 21575476
LOTUS: LTS0193819
NPASS: NPC28224
Source
Properties Information
Molecule Weight: 591.83
TPSA？: 119.69
MolLogP？: 3.3758000000000017
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 6
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 | 13.0 | None | 10.1021/np0497649 |
| Mus musculus | Mus musculus | Activity | 17.0 | None | 10.1021/np0497649 |