Venalstonine; 3-Oxo
AlkaPlorer ID: AK317435
Synonym: 14,15-Didehydro-3-oxokopsinine, Ld 65
IUPAC Name: methyl 13-oxo-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7,14-tetraene-18-carboxylate
Structure
SMILES: COC(=O)C1CC23C=CC(=O)N4CCC5(C6=CC=CC=C6NC15CC2)C43
InChI: InChI=1S/C21H22N2O3/c1-26-17(25)14-12-19-7-6-16(24)23-11-10-20(18(19)23)13-4-2-3-5-15(13)22-21(14,20)9-8-19/h2-7,14,18,22H,8-12H2,1H3
InChIKey: AYJNRNWGLVYFEQ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Melodinus australis | Melodinus | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Vinca | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Vinca | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 350.41800000000006
TPSA？: 58.64000000000001
MolLogP？: 2.2325
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|