UNPD128162
AlkaPlorer ID: AK507281
Synonym: None
IUPAC Name: [(1S,2S,4S,9S,10R,17R)-17-hydroxy-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] (E)-2-methylbut-2-enoate
Structure
SMILES: C/C=C(\C)C(=O)O[C@H]1CCN2C[C@@H]3[C@H](O)[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1
InChI: InChI=1S/C20H30N2O4/c1-3-12(2)20(25)26-13-7-8-21-10-14-16-5-4-6-18(23)22(16)11-15(19(14)24)17(21)9-13/h3,13-17,19,24H,4-11H2,1-2H3/b12-3+/t13-,14-,15-,16+,17-,19-/m0/s1
InChIKey: QYYKEXWJXCMUIT-OBRRYVJYSA-N
Reference
Esters of quinolizidine alkaloids from the genus Pearsonia
PubChem CID: 14589039
LOTUS: LTS0065189
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pearsonia obovata | Pearsonia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 362.4700000000002
TPSA？: 70.08
MolLogP？: 1.3303999999999994
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|