1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione

HCID 2889

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

Related reactions

4 records

Linked notes

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