Summary

IMPPAT Phytochemical identifier: IMPHY014399

Phytochemical name: 3'-Prenyl-2,4,5,2',4'-pentahydroxychalcone

Synonymous chemical names:
ramosismin

External chemical identifiers:
CID:42607546, ZINC:ZINC000014648149

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Chemical structure information

SMILES:
CC(=CCc1c(O)ccc(c1O)C(=O)/C=C/c1cc(O)c(cc1O)O)C

InChI:
InChI=1S/C20H20O6/c1-11(2)3-5-13-16(22)8-6-14(20(13)26)15(21)7-4-12-9-18(24)19(25)10-17(12)23/h3-4,6-10,22-26H,5H2,1-2H3/b7-4+

InChIKey:
GMUQYFZXKQJSME-QPJJXVBHSA-N

DeepSMILES:
CC=CCccO)cccc6O))C=O)/C=C/cccO)ccc6O)))O)))))))))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccccc1)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: 1.454

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Chemical structure download