Summary

IMPPAT Phytochemical identifier: IMPHY004667

Phytochemical name: 3-(2,4-Dihydroxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one

Synonymous chemical names:
2,4,4'-trihydroxychalcone, 244-trihydroxychalcone

External chemical identifiers:
CID:5057077

---

Chemical structure information

SMILES:
Oc1ccc(cc1)C(=O)C=Cc1ccc(cc1O)O

InChI:
InChI=1S/C15H12O4/c16-12-5-1-10(2-6-12)14(18)8-4-11-3-7-13(17)9-15(11)19/h1-9,16-17,19H

InChIKey:
VDYSHUXENHRSOO-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))C=O)C=Ccccccc6O)))O

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

---

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

---

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: 0.548

---

Chemical structure download