Summary

IMPPAT Phytochemical identifier: IMPHY007955

Phytochemical name: Pseudokopsinine

Synonymous chemical names:
dihydrovindolinine

External chemical identifiers:
CID:580313, MolPort-009-753-070

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Chemical structure information

SMILES:
COC(=O)C1CC23C(C41Nc1c(C54C3N(CC5)CCC2)cccc1)C

InChI:
InChI=1S/C21H26N2O2/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/h3-4,6-7,13,15,18,22H,5,8-12H2,1-2H3

InChIKey:
CZLWGXKWXLVFJU-UHFFFAOYSA-N

DeepSMILES:
COC=O)CCCCC5NccC5C8NCC5))CCC%12))))))cccc6))))))))C

Functional groups:
CN(C)C, COC(C)=O, cNC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)NC13CCC4(CCCN5CCC21C54)C3

Scaffold Graph/Node level:
C1CCC2C(C1)NC13CCC4(CCCN5CCC21C54)C3

Scaffold Graph level:
C1CCC2C(C1)CC13CCC4(CCCC5CCC21C54)C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Aspidospermatan-type alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Aspidosperma type

NP-Likeness score: 1.812

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Chemical structure download