Summary

IMPPAT Phytochemical identifier: IMPHY002418

Phytochemical name: Arjunolone

Synonymous chemical names:
arjunolone

Chemical structure information

SMILES:
COc1cc2oc(cc(=O)c2cc1O)c1ccc(cc1)O

InChI:
InChI=1S/C16H12O5/c1-20-16-8-15-11(6-13(16)19)12(18)7-14(21-15)9-2-4-10(17)5-3-9/h2-8,17,19H,1H3

InChIKey:
YBXVFEFEBHKROY-UHFFFAOYSA-N

DeepSMILES:
COcccoccc=O)c6cc%10O))))))cccccc6))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2ccccc12

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: Flavones

NP-Likeness score: 0.993

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Chemical structure download