Summary

IMPPAT Phytochemical identifier: IMPHY010543

Phytochemical name: methyl (10S,12R,13E,18S)-13-ethylidene-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2,4,6,8-tetraene-18-carboxylate

Synonymous chemical names:
strictamine, vincamidine

External chemical identifiers:
CID:6444325

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Chemical structure information

SMILES:
COC(=O)[C@H]1[C@H]2C[C@H]3C4=Nc5c(C14CCN3C/C/2=C/C)cccc5

InChI:
InChI=1S/C20H22N2O2/c1-3-12-11-22-9-8-20-14-6-4-5-7-15(14)21-18(20)16(22)10-13(12)17(20)19(23)24-2/h3-7,13,16-17H,8-11H2,1-2H3/b12-3-/t13?,16-,17+,20?/m0/s1

InChIKey:
LITYYRLWHAQJQS-PVNAXRQKSA-N

DeepSMILES:
COC=O)[C@H][C@H]C[C@H]C=NccC95CCN9C/C/%13=C/C))))))))cccc6

Functional groups:
C/C=C(/C)C, CN(C)C, COC(C)=O, cN=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CN2CCC34CC1CC2C3=Nc1ccccc14

Scaffold Graph/Node level:
CC1CN2CCC34CC1CC2C3NC1CCCCC14

Scaffold Graph level:
CC1CC2CCC34CC1CC2C3CC1CCCCC14

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Akuammilan and related alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Corynanthe type

NP-Likeness score: 2.105

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Chemical structure download