Summary

IMPPAT Phytochemical identifier: IMPHY005918

Phytochemical name: Pleiocarpamine

Synonymous chemical names:
pleiocarpamine

External chemical identifiers:
CID:5385014, ChEMBL:CHEMBL3338254, ChEBI:141939

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Chemical structure information

SMILES:
COC(=O)[C@@H]1[C@H]2C[C@H]3c4n1c1ccccc1c4CCN3C/C/2=C/C

InChI:
InChI=1S/C20H22N2O2/c1-3-12-11-21-9-8-14-13-6-4-5-7-16(13)22-18(14)17(21)10-15(12)19(22)20(23)24-2/h3-7,15,17,19H,8-11H2,1-2H3/b12-3-/t15-,17-,19-/m0/s1

InChIKey:
NTMOAQDHNZYZMZ-QWCNWJGKSA-N

DeepSMILES:
COC=O)[C@@H][C@H]C[C@H]cn6cccccc6c9CCN%13C/C/%17=C/C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CN2CCc3c4n(c5ccccc35)CC1CC42

Scaffold Graph/Node level:
CC1CN2CCC3C4CCCCC4N4CC1CC2C34

Scaffold Graph level:
CC1CC2CCC3C4CCCCC4C4CC1CC2C34

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Pleiocarpaman alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Corynanthe type

NP-Likeness score: 1.061

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Chemical structure download