Summary

IMPPAT Phytochemical identifier: IMPHY007232

Phytochemical name: Cryptolepine

Synonymous chemical names:
cryptolepine

External chemical identifiers:
CID:82143, ChEMBL:CHEMBL119096, ChEBI:3930, ZINC:ZINC000000898100, FDASRS:OF1UIT4RDH, SureChEMBL:SCHEMBL542771

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Chemical structure information

SMILES:
Cn1c2ccccc2cc2-c1c1ccccc1n2

InChI:
InChI=1S/C16H12N2/c1-18-15-9-5-2-6-11(15)10-14-16(18)12-7-3-4-8-13(12)17-14/h2-10H,1H3

InChIKey:
KURWKDDWCJELSV-UHFFFAOYSA-N

DeepSMILES:
Cncccccc6cc-c%10cccccc6n9

Functional groups:
cn(c)C, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2[nH]c3c4ccccc4nc-3cc2c1

Scaffold Graph/Node level:
C1CCC2NC3C(CC2C1)NC1CCCCC13

Scaffold Graph level:
C1CCC2CC3C(CC2C1)CC1CCCCC13

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Indoloquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Anthranilic acid alkaloids

NP-Likeness score: -0.385

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Chemical structure download