Summary

IMPPAT Phytochemical identifier: IMPHY009083

Phytochemical name: 5-hydroxy-2-(4-hydroxyphenyl)-8,9,9-trimethyl-3,8-dihydro-2H-furo[2,3-h]chromen-4-one

Synonymous chemical names:
ugonin d

External chemical identifiers:
CID:5315116, SureChEMBL:SCHEMBL19665249

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Chemical structure information

SMILES:
Oc1ccc(cc1)C1CC(=O)c2c(O1)c1c(cc2O)OC(C1(C)C)C

InChI:
InChI=1S/C20H20O5/c1-10-20(2,3)18-16(24-10)9-14(23)17-13(22)8-15(25-19(17)18)11-4-6-12(21)7-5-11/h4-7,9-10,15,21,23H,8H2,1-3H3

InChIKey:
KITUBOBTRYFYBY-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))CCC=O)ccO6)cccc6O)))OCC5C)C))C

Functional groups:
cC(C)=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2c1ccc1c2CCO1

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2C1CCC1OCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2C1CCC1CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 2.321

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Chemical structure download