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Corannulene

CAT: 0804-HY-W046846-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W046846-02Size:10 mg
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Description
Corannulene is an agonist of aryl hydrocarbon receptor (AhR). Corannulene causes less cytotoxic responses than Benzo[a]pyrene in hepatoma cells. Corannulene is promising for research of cancers[1].
CAS Number
5821-51-2
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Aryl Hydrocarbon Receptor
Related Pathways
Immunology/Inflammation
Field of Research
Cancer
Purity
97.31
Smiles
C1(C=C2)=CC=C3C=CC4=CC=C5C6=C4C3=C1C6=C2C=C5
Molecular Formula
C20H10
Molecular Weight
250.29
Precautions
H302, H315, H319, H335
References & Citations
[1]Li G, et al. Involvement of aryl hydrocarbon receptor in the cytotoxicity of corannulene and its derivatives. Toxicol Lett. 2020 Mar 15;321:114-121.
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Dibenzo(ghi,mno)fluoranthene

structure in first source

CAS Number5821-51-2
PubChem CID11831840
IUPAC Namehexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene
Molecular FormulaC20H10
Molecular Weight250.3
XLogP6
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count20
Formal Charge0
Complexity303
SMILES
C1=CC2=C3C4=C1C=CC5=C4C6=C(C=C5)C=CC(=C36)C=C2
InChI
InChI=1S/C20H10/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11(1)16-17(12)19(14)20(15)18(13)16/h1-10H
InChIKey
VXRUJZQPKRBJKH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dibenzo(ghi,mno)fluoranthene
CAS: 5821-51-2
CID: 11831840
Formula: C20H10
MW: 250.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.3
XLogP36
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass250.078250319
Monoisotopic Mass250.078250319
Topological Polar Surface Area0 Ų
Heavy Atom Count20
Formal Charge0
Complexity303
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
OR1078366-01Corannulene

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