Summary

IMPPAT Phytochemical identifier: IMPHY006409

Phytochemical name: 2-Hydroxychalcone

Synonymous chemical names:
2-hydroxychalcone

External chemical identifiers:
CID:5367146, ChEMBL:CHEMBL147067, ZINC:ZINC000003894725, SureChEMBL:SCHEMBL626785, MolPort-000-156-316

---

Chemical structure information

SMILES:
O=C(c1ccccc1)/C=C/c1ccccc1O

InChI:
InChI=1S/C15H12O2/c16-14-9-5-4-8-13(14)10-11-15(17)12-6-2-1-3-7-12/h1-11,16H/b11-10+

InChIKey:
UDOOPSJCRMKSGL-ZHACJKMWSA-N

DeepSMILES:
O=Ccccccc6))))))/C=C/cccccc6O

Functional groups:
c/C=C/C(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: 0.146

---

Chemical structure download