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Minovincinine

AlkaPlorer ID: AK005141

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

IUPAC Name: methyl (1S,12S,19S)-12-[(1S)-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@H](C)O)(C1)[C@@H]23

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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

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InChIKey: BKMGDPNQILJWLI-ODVVLEEXSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Alstonia venenata Alstonia 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
AKRT004550 CC(=O)[CoA].COC(=O)C1=C2Nc3ccccc3[C@]23CCN2CCC[C@]([C@H](C)O)(C1)[C@@H]23>>COC(=O)C1=C2Nc3ccccc3[C@]23CCN2CCC[C@](C(C)OC(C)=O)(C1)[C@@H]23 61080
AKRT009870 CC[C@@]12CCCN3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@H]32>>COC(=O)C1=C2Nc3ccccc3[C@]23CCN2CCC[C@]([C@H](C)O)(C1)[C@@H]23 61040