Summary

IMPPAT Phytochemical identifier: IMPHY006815

Phytochemical name: Normavacurine

Synonymous chemical names:
normavacurine

External chemical identifiers:
CID:11969908

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Chemical structure information

SMILES:
OC[C@H]1C2CC3c4n1c1ccccc1c4CCN3C/C/2=C/C

InChI:
InChI=1S/C19H22N2O/c1-2-12-10-20-8-7-14-13-5-3-4-6-16(13)21-18(11-22)15(12)9-17(20)19(14)21/h2-6,15,17-18,22H,7-11H2,1H3/b12-2-/t15?,17?,18-/m0/s1

InChIKey:
AVWSKQPXKPSIFK-QOTPCBIGSA-N

DeepSMILES:
OC[C@H]CCCcn6cccccc6c9CCN%13C/C/%17=C/C

Functional groups:
C/C=C(C)C, CN(C)C, CO, 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: 1.715

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Chemical structure download