Vindolinine

AlkaPlorer ID: AK036375

Synonym: '19R-vindolinine', '(-)-Vindolinine'

IUPAC Name: methyl (1R,9R,10S,11R,12S,19S,20S)-20-methyl-8,16-diazahexacyclo[10.6.1.19,11.01,9.02,7.016,19]icosa-2,4,6,13-tetraene-10-carboxylate

Structure

SMILES: COC(=O)[C@H]1[C@@H]2[C@@H]3C=CCN4CC[C@@]5(C6=CC=CC=C6N[C@]15[C@H]2C)[C@H]34

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InChI: InChI=1S/C21H24N2O2/c1-12-16-13-6-5-10-23-11-9-20(18(13)23)14-7-3-4-8-15(14)22-21(12,20)17(16)19(24)25-2/h3-8,12-13,16-18,22H,9-11H2,1-2H3/t12-,13-,16-,17+,18-,20+,21+/m0/s1

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InChIKey: AIOHHTSDUPUMNK-LGSHSHTRSA-N

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Source

Properties Information

Molecule Weight: 336.435

TPSA: 41.57

MolLogP: 2.417700000000001

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information