(-)-Vinorine

AlkaPlorer ID: AK005062

Synonym: 'Vinorine', '21-Deoxyvomilenine'

IUPAC Name: [(1R,10S,12R,13E,16S,17S,18R)-13-ethylidene-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate

Structure

SMILES: C/C=C1/CN2[C@H]3C[C@@H]1[C@@H]1[C@@H](OC(C)=O)[C@@]4(C[C@@H]12)C3=NC1=CC=CC=C14

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InChI: InChI=1S/C21H22N2O2/c1-3-12-10-23-16-8-13(12)18-17(23)9-21(20(18)25-11(2)24)14-6-4-5-7-15(14)22-19(16)21/h3-7,13,16-18,20H,8-10H2,1-2H3/b12-3-/t13-,16-,17-,18-,20+,21+/m0/s1

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InChIKey: CLDVMRAEPFQOSD-PCTANZRLSA-N

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Source

Properties Information

Molecule Weight: 334.419

TPSA: 41.9

MolLogP: 2.9947000000000017

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information