Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C21H22O4
- Molecular weight
- 338.4 g/mol
- IUPAC name
- (E)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
- SMILES
- CC(C)(C=C)C1=C(C=C(C(=C1)/C=C/C(=O)C2=CC=C(C=C2)O)OC)O
- InChIKey
- KAZSKMJFUPEHHW-DHZHZOJOSA-N
- XLogP
- 4.9
- Polar surface area
- 66.8 Ų
- H-bond donors
- 2
- H-bond acceptors
- 4
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Mass
- 338.152
Show 4 more facts
- chemical formula
- C₂₁H₂₂O₄
- canonical SMILES
- CC(C)(C=C)C1=C(C=C(C(=C1)C=CC(=O)C2=CC=C(C=C2)O)OC)O
- isomeric SMILES
- CC(C)(C=C)C1=C(C=C(C(=C1)/C=C/C(=O)C2=CC=C(C=C2)O)OC)O
- found in taxon
- Pogostemon cablin
via Wikidata · CC0