Summary

IMPPAT Phytochemical identifier: IMPHY004926

Phytochemical name: Cherianoine

Synonymous chemical names:
cherianoine

External chemical identifiers:
CID:5315819, ZINC:ZINC000013385594

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Chemical structure information

SMILES:
COc1c(O)c(OC)cc2c1c(=O)n(cc2)C

InChI:
InChI=1S/C12H13NO4/c1-13-5-4-7-6-8(16-2)10(14)11(17-3)9(7)12(13)15/h4-6,14H,1-3H3

InChIKey:
OJLLODMRNXRZIT-UHFFFAOYSA-N

DeepSMILES:
COccO)cOC))ccc6c=O)ncc6))C

Functional groups:
c=O, cO, cOC, cn(c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1[nH]ccc2ccccc12

Scaffold Graph/Node level:
OC1NCCC2CCCCC21

Scaffold Graph level:
CC1CCCC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Isoquinolines and derivatives

ClassyFire Subclass: Isoquinolones and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 0.654

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Chemical structure download