Summary

IMPPAT Phytochemical identifier: IMPHY009162

Phytochemical name: Onychine

Synonymous chemical names:
onychin, onychine

External chemical identifiers:
CID:72584, ChEMBL:CHEMBL181614, SureChEMBL:SCHEMBL8548579

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Chemical structure information

SMILES:
Cc1ccnc2-c3c(C(=O)c12)cccc3

InChI:
InChI=1S/C13H9NO/c1-8-6-7-14-12-9-4-2-3-5-10(9)13(15)11(8)12/h2-7H,1H3

InChIKey:
LTVBTVOAUQJJEV-UHFFFAOYSA-N

DeepSMILES:
Ccccnc-ccC=O)c95))cccc6

Functional groups:
cC(c)=O, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2-c2ncccc21

Scaffold Graph/Node level:
OC1C2CCCCC2C2NCCCC12

Scaffold Graph level:
CC1C2CCCCC2C2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Polycyclic aromatic polyketides

NP Classifier Class: Anthraquinones and anthrones

NP-Likeness score: 0.491

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Chemical structure download