Summary

IMPPAT Phytochemical identifier: IMPHY012837

Phytochemical name: 2',4,4',6'-Tetramethoxychalcone

Synonymous chemical names:
2',4',6',4-tetramethoxy-chalcone, 2',4',6',4-tetramethoxychalcone

External chemical identifiers:
CID:5378566, ChEMBL:CHEMBL32339, ZINC:ZINC000004100765, SureChEMBL:SCHEMBL633215, MolPort-003-803-649

---

Chemical structure information

SMILES:
COc1ccc(cc1)/C=C/C(=O)c1c(OC)cc(cc1OC)OC

InChI:
InChI=1S/C19H20O5/c1-21-14-8-5-13(6-9-14)7-10-16(20)19-17(23-3)11-15(22-2)12-18(19)24-4/h5-12H,1-4H3/b10-7+

InChIKey:
JQNMAEHFTQBROH-JXMROGBWSA-N

DeepSMILES:
COcccccc6))/C=C/C=O)ccOC))cccc6OC))))OC

Functional groups:
c/C=C/C(c)=O, cOC

---

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

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 0.246

---

Chemical structure download