Summary

IMPPAT Phytochemical identifier: IMPHY007251

Phytochemical name: Echinopsine

Synonymous chemical names:
echinopsine

External chemical identifiers:
CID:6748, ChEBI:4749, ZINC:ZINC000000265414, FDASRS:17MMY7OK1U, SureChEMBL:SCHEMBL1809581, MolPort-000-882-179

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Chemical structure information

SMILES:
Cn1ccc(=O)c2c1cccc2

InChI:
InChI=1S/C10H9NO/c1-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H3

InChIKey:
CSJAXRKDCCWCSJ-UHFFFAOYSA-N

DeepSMILES:
Cnccc=O)cc6cccc6

Functional groups:
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: -0.472

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Chemical structure download