Basic information
- CAS
76735-57-4- Standard SMILES
COc1cc(-c2cc(=O)c3c(O)c(C/C=C(\C)CCC=C(C)C)c(O)cc3o2)ccc1O- InChIKey
MWGFICMOCSIQMV-LZYBPNLTSA-N- Molecular formula
- C26H28O6
- Average molar mass
- 436.5 g/mol
- Monoisotopic mass
- 436.18858861
Overview
Cannflavin A is a member of flavones.
Names & identifiers
- Preferred name
- Cannflavin A
- IUPAC
- 6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
- English name
- 4H-1-Benzopyran-4-one, 6-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-
- Molecular formula
- C26H28O6
- Molecular weight
- 436.5
Names & synonyms
Cannflavin A76735-57-4Cannaflavin AGP8SR738HV6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-oneDTXSID9013369526-((2E)-3,7-dimethylocta-2,6-dienyl)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-oneRefChem:31333DTXCID001767257CannflavinACanniflavone 2UNII-GP8SR738HV
Show more names
4H-1-Benzopyran-4-one, 6-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-
CHEMBL40987324H-1-Benzopyran-4-one, 6-((2E)-3,7-dimethyl-2,6-octadien-1-yl)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-((2E)-3,7-Dimethyl-2,6-octadien-1-yl)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one(E)-6-(3,7-dimethylocta-2,6-dien-1-yl)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-oneorb1944099SCHEMBL12954625SCHEMBL29357680SCHEMBL29928945
Database identifiers
- CAS
76735-57-4
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 749
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Physicochemical properties
- Boiling point
- 657.4 · 657.4±55.0 °C(Predicted)
- Density
- 1.246 · 1.246±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 1 mg/ml
- form
- A crystalline solid
- pka
- 6.57 · 6.57±0.40(Predicted)
- color
- Light yellow to yellow
- Stability
- Light Sensitive
- Major Application
- food and beveragespharmaceutical
- FDA UNII
- 8 SR738HV · GP8SR738HV
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesCannflavin A exhibits cyclooxygenase and lipoxygenase inhibition; some of its constituents have anti-inflammatory therapeutic potential.
Suppliers10 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Wuhan ChemNorm Biotech Co.,Ltd.+86-27-8439 4403 18971486879 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
武汉顶全科技有限公司18971486879 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
Additional notes
DefinitionChEBI: Cannflavin A is a member of flavones.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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