Basic information
- CAS
579-23-7- Standard SMILES
COc1cc(C=C2CCCC(=Cc3ccc(O)c(OC)c3)C2=O)ccc1O- InChIKey
DHKKONBXGAAFTB-UHFFFAOYSA-N- Molecular formula
- C22H22O5
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 366.1467238
Overview
is a synthetic curcumin derivative; structure in first source
Names & identifiers
- Preferred name
- Cyclovalone
- IUPAC
- 2,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cyclohexan-1-one
- English name
- cyclovalone
- Molecular formula
- C22H22O5
- Molecular weight
- 366.41
Names & synonyms
Cyclovalone579-23-72,6-DivanillylidenecyclohexanoneCiclovalonaCyclovalonum6M4YJ3FA16DTXSID7046386NSC-26727DTXCID5026386RefChem:130037209-438-9Cyclovalone [INN]
Show more names
VanilonecyqualonAids057932Aids-057932Compound T86149(SC)Divanillydene cyclohexanoneDIVANILLYLIDENECYCLOHEXANONE
2,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cyclohexan-1-oneDivanilBevenoTsikvalon; VaniloneCurcumoidCycvalonDivanonFlavugal
Database identifiers
- CAS
579-23-7- PubChem CID
- 11366
- DTXSID
DTXSID7046386- ChEMBL
CHEMBL17205- UNII
- 6M4YJ3FA16
- EC Number
- 209-438-9
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 533
Physicochemical properties
- Melting point
- 178 · 178-179°
- Boiling point
- 595.5 · 595.5±50.0 °C(Predicted)
- Density
- 1.292 · 1.292±0.06 g/cm3(Predicted)
- solubility
- Acetone (Slightly, Sonicated), DMSO (Slightly)
- form
- Solid
- pka
- 9.44 · 9.44±0.35(Predicted)
- color
- Yellow to Very Dark Yellow
- Stability
- Light Sensitive
- LogP
- 4.47 · 4.470 (est)
- FDA UNII
- 6 M4YJ3FA16 · 6M4YJ3FA16
- Toxicity
- 50 intravenous · LD50 intravenous in mouse: 56mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Other Safety InformationIMAP assessments - Cyclohexanone, 2,6-bis[(4-hydroxy-3-methoxyphenyl)methylene]-: Human health tier I assessment
Safety data
- Toxicity
- LD50 intravenous in mouse: 56mg/kg
Chemistry & industry
Applications
Uses2,6-Divanillylidenecyclohexanone (cas# 579-23-7) is used to make a nanofiber which is found to have anti-bacterial and anti-cancer activity.
Suppliers5 total
杭州东帆化学有限公司86-0571-85151182
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: Cyclovalone is a diarylheptanoid.
Related reactions
2 records
Compound notes
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