3-O-Acetylcrinine
AlkaPlorer ID: AK009661
Synonym: 'O-Acetylcrinine', 'Krepowine'
IUPAC Name: [(1S,13R)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-15-yl] acetate
Structure
SMILES: CC(=O)OC1C=C[C@@]23CCN(CC4=CC5=C(C=C42)OCO5)[C@@H]3C1
InChI: InChI=1S/C18H19NO4/c1-11(20)23-13-2-3-18-4-5-19(17(18)7-13)9-12-6-15-16(8-14(12)18)22-10-21-15/h2-3,6,8,13,17H,4-5,7,9-10H2,1H3/t13?,17-,18-/m1/s1
InChIKey: YEIGSYFTXGPBIB-NGKGQXKNSA-N
Reference
Oxocrinine and other alkaloids from Crinum americanum
PubChem CID: 22213227
LOTUS: LTS0081144
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crinum americanum | Crinum | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 313.35300000000007
TPSA？: 48.0
MolLogP？: 2.1326
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|