13-Hydroxylupanine; O-(2-Pyrrolecarbonyl)
AlkaPlorer ID: AK301357
Synonym: Calpurnine, Oroboidine, Hoe 933
IUPAC Name: (14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl) 1H-pyrrole-2-carboxylate
Structure
SMILES: O=C(OC1CCN2CC3CC(CN4C(=O)CCCC34)C2C1)C1=CC=CN1
InChI: InChI=1S/C20H27N3O3/c24-19-5-1-4-17-13-9-14(12-23(17)19)18-10-15(6-8-22(18)11-13)26-20(25)16-3-2-7-21-16/h2-3,7,13-15,17-18,21H,1,4-6,8-12H2
InChIKey: YFRYJFMFQOBOSY-UHFFFAOYSA-N
Reference
Alkaloids of ethiopian Calpurnia aurea subsp. aurea
PubChem CID: 4486246
CAS: 6874-80-2
LOTUS: LTS0176204
COCONUT: CNP0182790.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cadia ellisiana | Cadia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Virgilia capensis | Virgilia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Calpurnia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Calpurnia aurea | Calpurnia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 357.454
TPSA？: 65.64
MolLogP？: 2.0352999999999994
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|