Summary

IMPPAT Phytochemical identifier: IMPHY014097

Phytochemical name: 1-Hydroxy-3-methoxy-10-methylacridone

Synonymous chemical names:
1-hydroxy-3-methoxy-n-methyl-acridone, 1-hydroxy-3-methoxy-n-methylacridone, 1-hydroxy-3-methoxy-n-methylacridrone

External chemical identifiers:
CID:5377412, ChEMBL:CHEMBL1094824, ChEBI:173801, SureChEMBL:SCHEMBL424353

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Chemical structure information

SMILES:
COc1cc(O)c2c(c1)n(C)c1c(c2=O)cccc1

InChI:
InChI=1S/C15H13NO3/c1-16-11-6-4-3-5-10(11)15(18)14-12(16)7-9(19-2)8-13(14)17/h3-8,17H,1-2H3

InChIKey:
OCUBFJMZYYIVBO-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6)nC)ccc6=O))cccc6

Functional groups:
c=O, cO, cOC, 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: 0.619

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Chemical structure download