Summary

IMPPAT Phytochemical identifier: IMPHY000459

Phytochemical name: 5-Hydroxy-7-(4'-hydroxyphenyl)1-phenyl-3-heptanone

Synonymous chemical names:
5-hydroxy-7-(4'-hydroxyphenyl)1-phenyl-3-heptanone

Chemical structure information

SMILES:
O[C@H](CC(=O)CCc1ccccc1)CCc1ccc(cc1)O

InChI:
InChI=1S/C19H22O3/c20-17-10-6-16(7-11-17)9-13-19(22)14-18(21)12-8-15-4-2-1-3-5-15/h1-7,10-11,19-20,22H,8-9,12-14H2/t19-/m0/s1

InChIKey:
UNMNJFPAJOHXMT-IBGZPJMESA-N

DeepSMILES:
O[C@H]CC=O)CCcccccc6))))))))))CCcccccc6))O

Functional groups:
CC(C)=O, CO, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CCCCc1ccccc1)CCc1ccccc1

Scaffold Graph/Node level:
OC(CCCCC1CCCCC1)CCC1CCCCC1

Scaffold Graph level:
CC(CCCCC1CCCCC1)CCC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Diarylheptanoids

ClassyFire Subclass: Linear diarylheptanoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Diarylheptanoids

NP Classifier Class: Linear diarylheptanoids

NP-Likeness score: 1.088

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Chemical structure download