Summary

IMPPAT Phytochemical identifier: IMPHY004957

Phytochemical name: Uralenin

Synonymous chemical names:
uralenin

External chemical identifiers:
CID:5315125

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Chemical structure information

SMILES:
CC(=CCc1cc(cc(c1O)O)c1cc(=O)c2c(o1)cc(cc2O)O)C

InChI:
InChI=1S/C20H18O6/c1-10(2)3-4-11-5-12(6-16(24)20(11)25)17-9-15(23)19-14(22)7-13(21)8-18(19)26-17/h3,5-9,21-22,24-25H,4H2,1-2H3

InChIKey:
CQVDOHIEYGNTQX-UHFFFAOYSA-N

DeepSMILES:
CC=CCcccccc6O))O)))ccc=O)cco6)cccc6O)))O)))))))))))))C

Functional groups:
CC=C(C)C, c=O, cO, 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: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 2.03

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Chemical structure download