Summary

IMPPAT Phytochemical identifier: IMPHY004959

Phytochemical name: Uralenol

Synonymous chemical names:
uralenol

External chemical identifiers:
CID:5315126, ChEMBL:CHEMBL113833, ChEBI:175758, SureChEMBL:SCHEMBL1170912

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Chemical structure information

SMILES:
CC(=CCc1cc(cc(c1O)O)c1oc2cc(O)cc(c2c(=O)c1O)O)C

InChI:
InChI=1S/C20H18O7/c1-9(2)3-4-10-5-11(6-14(23)17(10)24)20-19(26)18(25)16-13(22)7-12(21)8-15(16)27-20/h3,5-8,21-24,26H,4H2,1-2H3

InChIKey:
WOMWVGHYSNATOB-UHFFFAOYSA-N

DeepSMILES:
CC=CCcccccc6O))O)))cocccO)ccc6c=O)c%10O))))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: Flavonols

NP-Likeness score: 2.126

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Chemical structure download