Summary

IMPPAT Phytochemical identifier: IMPHY008708

Phytochemical name: Arjunone

Synonymous chemical names:
5,7,2',4'-tetramethoxyflavone(arjunone), arjunone

External chemical identifiers:
CID:14034821

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Chemical structure information

SMILES:
COc1ccc(c(c1)OC)C1CC(=O)c2c(O1)cc(cc2OC)OC

InChI:
InChI=1S/C19H20O6/c1-21-11-5-6-13(15(7-11)23-3)16-10-14(20)19-17(24-4)8-12(22-2)9-18(19)25-16/h5-9,16H,10H2,1-4H3

InChIKey:
ZCMZJXOFFVFREZ-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)OC)))CCC=O)ccO6)cccc6OC))))OC

Functional groups:
cC(C)=O, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccccc21

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 1.042

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Chemical structure download