Molecule

Minovincinine

AlkaPlorer ID: AK005142

Synonym: '', '(+)-Minovincinine', 'Alkaloid V3', 'Minovincinine', '20R-20-Hydroxy-(-)-vincadifformine'

IUPAC Name: methyl (1R,12R,19R)-12-(1-hydroxyethyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate

Structure

SMILES: COC(=O)C1=C2NC3=CC=CC=C3[C@@]23CCN2CCC[C@@](C(C)O)(C1)[C@H]23

InChI: InChI=1S/C21H26N2O3/c1-13(24)20-8-5-10-23-11-9-21(19(20)23)15-6-3-4-7-16(15)22-17(21)14(12-20)18(25)26-2/h3-4,6-7,13,19,22,24H,5,8-12H2,1-2H3/t13?,19-,20-,21-/m0/s1

InChIKey: BKMGDPNQILJWLI-VFZBCNBRSA-N

Reference

Vinca Alkaloids

PubChem CID: 443401

LOTUS: LTS0265468

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Catharanthus trichophyllus	Catharanthus	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 354.4500000000001

TPSA？: 61.8

MolLogP？: 2.4160000000000004

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT004548	CC(=O)[CoA].COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2CCC[C@@](C(C)O)(C1)[C@H]23>>COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2CCC[C@@](C(C)OC(C)=O)(C1)[C@H]23	R05870
AKRT010323	CC[C@]12C=CCN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32>>COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2CCC[C@@](C(C)O)(C1)[C@H]23	R05869