Summary

IMPPAT Phytochemical identifier: IMPHY006555

Phytochemical name: 10-Methylacridin-9(10H)-one

Synonymous chemical names:
n-methylacridone

External chemical identifiers:
CID:69751, ChEMBL:CHEMBL1288901, ZINC:ZINC000008579417, SureChEMBL:SCHEMBL53107, MolPort-001-497-012

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Chemical structure information

SMILES:
Cn1c2ccccc2c(=O)c2c1cccc2

InChI:
InChI=1S/C14H11NO/c1-15-12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)15/h2-9H,1H3

InChIKey:
XUVKSPPGPPFPQN-UHFFFAOYSA-N

DeepSMILES:
Cncccccc6c=O)cc%10cccc6

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2[nH]c2ccccc12

Scaffold Graph/Node level:
OC1C2CCCCC2NC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CC2CCCCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Benzoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Anthranilic acid alkaloids

NP Classifier Class: Acridone alkaloids

NP-Likeness score: -0.097

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Chemical structure download