Cadiamine; O8-(2-Pyrrolecarbonyl)
AlkaPlorer ID: AK128091
Synonym: Cadiamine 2-pyrrolecarboxylate
IUPAC Name: [9-(hydroxymethyl)-7-(6-oxopiperidin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl] 1H-pyrrole-2-carboxylate
Structure
SMILES: O=C(OC1CCN2CC(C3CCCC(O)=N3)CC(CO)C2C1)C1=CC=CN1
InChI: InChI=1S/C20H29N3O4/c24-12-14-9-13(16-3-1-5-19(25)22-16)11-23-8-6-15(10-18(14)23)27-20(26)17-4-2-7-21-17/h2,4,7,13-16,18,21,24H,1,3,5-6,8-12H2,(H,22,25)
InChIKey: NNVWKIHRHLCZEU-UHFFFAOYSA-N
Reference
New quinolizidine alkaloids from cadia purpurea
PubChem CID: 73801189
LOTUS: LTS0138228
COCONUT: CNP0190868
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cadia purpurea | Cadia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 375.4690000000001
TPSA？: 98.15
MolLogP？: 2.1419
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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