3-Oxovoacangine
AlkaPlorer ID: AK449258
Synonym: None
IUPAC Name: methyl 17-ethyl-7-methoxy-14-oxo-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
Structure
SMILES: CCC1CC2CC3(C(=O)OC)C4=C(CCN(C2=O)C13)C1=CC(OC)=CC=C1N4
InChI: InChI=1S/C22H26N2O4/c1-4-12-9-13-11-22(21(26)28-3)18-15(7-8-24(19(12)22)20(13)25)16-10-14(27-2)5-6-17(16)23-18/h5-6,10,12-13,19,23H,4,7-9,11H2,1-3H3
InChIKey: LTQINICYLGNLHN-UHFFFAOYSA-N
Reference
Studies on Natural Products from Cuban Plants. Alkaloids from <i>Tabernaemontana citrifolia</i>
PubChem CID: 3083798
CAS: 3306-59-0
LOTUS: LTS0274488
COCONUT: CNP0111028.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana citrifolia | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 382.46
TPSA？: 71.63
MolLogP？: 2.790400000000001
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|