Summary

IMPPAT Phytochemical identifier: IMPHY014141

Phytochemical name: 2-Geranyl-2',3,4,4'-tetrahydroxydihydrochalcone

Synonymous chemical names:
2-geranyl-3,4,2',4'-tetrahydroxy-dihydrochalcone

External chemical identifiers:
CID:6449829, ChEMBL:CHEMBL523392, ChEBI:176022

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Chemical structure information

SMILES:
C/C(=CCc1c(CCC(=O)c2ccc(cc2O)O)ccc(c1O)O)/CCC=C(C)C

InChI:
InChI=1S/C25H30O5/c1-16(2)5-4-6-17(3)7-11-20-18(9-14-23(28)25(20)30)8-13-22(27)21-12-10-19(26)15-24(21)29/h5,7,9-10,12,14-15,26,28-30H,4,6,8,11,13H2,1-3H3/b17-7+

InChIKey:
FVNFXIPJDHVJGE-REZTVBANSA-N

DeepSMILES:
C/C=CCccCCC=O)cccccc6O)))O))))))))cccc6O))O))))))))/CCC=CC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CCc1ccccc1)c1ccccc1

Scaffold Graph/Node level:
OC(CCC1CCCCC1)C1CCCCC1

Scaffold Graph level:
CC(CCC1CCCCC1)C1CCCCC1

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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: 1.73

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Chemical structure download