vindolinine

AlkaPlorer ID: AK003200

Synonym: '(-)-vindolinine', 'MLS001195072', '20-epi-Vindolinine', '19S-Vindolinine', '20-Epivindolinine', 'MLSMR', 'Vindolinin', '19-Epivindolinine', 'SMR000554412', 'methyl 14-methyl-4,5,11,12-tetrahydro-1H,6H-3a,5a-methanoindolizino8,1-cdcarbazole-5-carboxylate'

IUPAC Name: methyl (1R,9S,10R,12S,19S,20S)-20-methyl-8,16-diazahexacyclo[10.6.1.19,12.01,9.02,7.016,19]icosa-2,4,6,13-tetraene-10-carboxylate

Structure

SMILES: COC(=O)[C@@H]1C[C@]23C=CCN4CC[C@@]5(C6=CC=CC=C6N[C@@]15[C@H]2C)[C@@H]43

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InChI: InChI=1S/C21H24N2O2/c1-13-19-8-5-10-23-11-9-20(18(19)23)14-6-3-4-7-16(14)22-21(13,20)15(12-19)17(24)25-2/h3-8,13,15,18,22H,9-12H2,1-2H3/t13-,15-,18-,19+,20+,21-/m0/s1

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InChIKey: JSLDLCGKZDUQSH-KLJMDCSPSA-N

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Source

Properties Information

Molecule Weight: 336.435

TPSA: 41.57

MolLogP: 2.5618000000000007

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information