UNPD77042
AlkaPlorer ID: AK241010
Synonym: None
IUPAC Name: [(1S,2R,4R,5S,9S,10S)-5-hydroxy-6-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] (Z)-2-methylbut-2-enoate
Structure
SMILES: C/C=C(/C)C(=O)O[C@@H]1C[C@@H]2[C@H]3C[C@@H](CN2C(=O)[C@H]1O)[C@@H]1CCCCN1C3
InChI: InChI=1S/C20H30N2O4/c1-3-12(2)20(25)26-17-9-16-13-8-14(11-22(16)19(24)18(17)23)15-6-4-5-7-21(15)10-13/h3,13-18,23H,4-11H2,1-2H3/b12-3-/t13-,14-,15-,16+,17+,18-/m0/s1
InChIKey: RDUATVRSGAHJIH-CNBDJZMNSA-N
Reference
Esters of quinolizidine alkaloids from the genus Pearsonia
PubChem CID: 102437379
LOTUS: LTS0013763
SuperNatural Ⅲ: SN0322620-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pearsonia sessilifolia | Pearsonia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 362.4700000000002
TPSA？: 70.08
MolLogP？: 1.3303999999999996
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|