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(-)-vincadifformine

AlkaPlorer ID: AK003730

Synonym: '(-)-Vincadifformine', 'MLS000072142', 'aspidospermidine-3-carboxylic acid, 2,3-didehydro-, methylester, (5alpha,12beta,19alpha)-', '(+)-Vincadifformine', 'vincadifformine', 'methyl (5S,12R,19S)-2,3-didehydroaspidospermidine-3-carboxylate', '(5alpha,12beta,19alpha)-2,3-didehydroaspidospermidine-3-carboxylic acid methyl ester', '3a-Ethyl-2,3,3a,4,6,11,12,12b-octahydro-1H-6,12a-diaza-indeno7,1-cdfluorene-5-carboxylic acid methyl ester', '5beta,12alpha,19beta-Vincadifformine', 'SMR000009045', 'Vincadifformine', 'MLSMR', '6,7-dihydrotabersonine', '6,7-Dihydrotabersonine'

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

Structure

SMILES: CC[C@@]12CCCN3CC[C@@]4(C(=C(C(=O)OC)C1)NC1=CC=CC=C14)[C@@H]32

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InChI: InChI=1S/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3/t19-,20+,21+/m0/s1

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InChIKey: GIGFIWJRTMBSRP-PWRODBHTSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 338.451

TPSA？: 41.57

MolLogP？: 3.4452000000000016

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information