Basic information
- Standard SMILES
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O- InChIKey
VFLDPWHFBUODDF-UHFFFAOYSA-N- Molecular formula
- C21H20O6
- Average molar mass
- 368.4 g/mol
Overview
turmeric has been reported in Curcuma xanthorrhiza, Alnus japonica, and other organisms with data available.
Names & identifiers
- Preferred name
- 1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
- IUPAC
- 1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
Names & synonyms
1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dioneRefChem:4177651,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,6-diene-3,5-dioneNCIMech_000700curcumin (diferuloylmethane)SCHEMBL8441KBioGR_002439KBioSS_002445MLS006011952orb1298759CHEMBL3187799SCHEMBL23884886
Show more names
SCHEMBL23884892SCHEMBL23884893SCHEMBL29360171SCHEMBL29876635KBio2_002439KBio2_005007KBio2_007575KBio3_002917
Database identifiers
- PubChem CID
- 2889
- ChEMBL
CHEMBL3187799
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 507
Related reactions
4 records
Linked notes
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