Molecule

Venalstonine; 14α,15α-Epoxide

AlkaPlorer ID: AK317429

Synonym: Venalstonidine, 6,7-Epoxykopsinine, Ld 63

IUPAC Name: methyl 3-oxa-6,16-diazaheptacyclo[15.2.2.11,6.02,4.09,17.010,15.09,22]docosa-10,12,14-triene-18-carboxylate

Structure

SMILES: COC(=O)C1CC23CCC14NC1=CC=CC=C1C41CCN(CC4OC42)C31

InChI: InChI=1S/C21H24N2O3/c1-25-17(24)13-10-19-6-7-21(13)20(12-4-2-3-5-14(12)22-21)8-9-23(18(19)20)11-15-16(19)26-15/h2-5,13,15-16,18,22H,6-11H2,1H3

InChIKey: PKVIZXKEMISSGB-UHFFFAOYSA-N

Reference

Alkaloids from Melodinus hemsleyanus

PubChem CID: 78172800

CAS: 26619-93-2

LOTUS: LTS0115137

COCONUT: CNP0280174.5

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Melodinus australis	Melodinus	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Melodinus	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Alstonia venenata	Alstonia	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Catharanthus ovalis	Catharanthus	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 352.43400000000014

TPSA？: 54.1

MolLogP？: 1.9171

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 8

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi