Summary

IMPPAT Phytochemical identifier: IMPHY005515

Phytochemical name: Glabrachalcone

Synonymous chemical names:
glabrachalcone

External chemical identifiers:
CID:42607548, ChEMBL:CHEMBL2043073, ZINC:ZINC000015257264, SureChEMBL:SCHEMBL16694586

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Chemical structure information

SMILES:
COc1cc(OC)c(cc1/C=C/C(=O)c1ccc2c(c1O)C=CC(O2)(C)C)OC

InChI:
InChI=1S/C23H24O6/c1-23(2)11-10-16-18(29-23)9-7-15(22(16)25)17(24)8-6-14-12-20(27-4)21(28-5)13-19(14)26-3/h6-13,25H,1-5H3/b8-6+

InChIKey:
JNBKPNKHWDVXRA-SOFGYWHQSA-N

DeepSMILES:
COcccOC))ccc6/C=C/C=O)cccccc6O))C=CCO6)C)C))))))))))))))OC

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccccc1)c1ccc2c(c1)C=CCO2

Scaffold Graph/Node level:
OC(CCC1CCCCC1)C1CCC2OCCCC2C1

Scaffold Graph level:
CC(CCC1CCCCC1)C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Linear 1,3-diarylpropanoids

ClassyFire Subclass: Chalcones and dihydrochalcones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 1.376

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Chemical structure download