Lyconesidine C

AlkaPlorer ID: AK083481

Synonym: '', 'Lyconesidine C'

IUPAC Name: [(1R,2R,10S,11S,12S,13R,15R)-12-acetyloxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

Structure

SMILES: COC1=CC=C(/C=C/C(=O)O[C@@H]2[C@@H](OC(C)=O)[C@@H]3C[C@@H](C)C[C@]45[C@@H]3CCCN4CCC[C@H]25)C=C1OC

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InChI: InChI=1S/C29H39NO6/c1-18-15-21-22-7-5-13-30-14-6-8-23(29(22,30)17-18)28(27(21)35-19(2)31)36-26(32)12-10-20-9-11-24(33-3)25(16-20)34-4/h9-12,16,18,21-23,27-28H,5-8,13-15,17H2,1-4H3/b12-10+/t18-,21-,22-,23-,27+,28+,29-/m1/s1

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InChIKey: YXTDBFCJIWOCAS-YQZXNNIUSA-N

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Source

Properties Information

Molecule Weight: 497.63200000000046

TPSA: 74.30000000000001

MolLogP: 4.481000000000004

Number of H-Donors: 0

Number of H-Acceptors: 7

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information