Summary

IMPPAT Phytochemical identifier: IMPHY010160

Phytochemical name: Evocarpine

Synonymous chemical names:
evocarpine

External chemical identifiers:
CID:5317303, ChEBI:80821, ZINC:ZINC000031168223, SureChEMBL:SCHEMBL15944383, MolPort-005-945-793

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Chemical structure information

SMILES:
CCCC/C=CCCCCCCCc1cc(=O)c2c(n1C)cccc2

InChI:
InChI=1S/C23H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-16-20-19-23(25)21-17-14-15-18-22(21)24(20)2/h6-7,14-15,17-19H,3-5,8-13,16H2,1-2H3/b7-6-

InChIKey:
HWFYWIVOYBPLQU-SREVYHEPSA-N

DeepSMILES:
CCCC/C=CCCCCCCCccc=O)ccn6C))cccc6

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc[nH]c2ccccc12

Scaffold Graph/Node level:
OC1CCNC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Quinolones and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids, Anthranilic acid alkaloids

NP Classifier Class: Quinoline alkaloids

NP-Likeness score: 0.791

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Chemical structure download