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Corannulene

CAT: 0931-T204413-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T204413-02Size:50 mg
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CAS Number
5821-51-2
Target
Aryl Hydrocarbon Receptor
Related Pathways
Immunology/Inflammation
Bioactivity
Corannulene is an agonist of the aromatic hydrocarbon receptor (AhR) . It induces a lower cytotoxic response in liver cancer cells compared to Benzo[a]pyrene and shows potential for use in cancer research.
Smiles
C1=CC=2C=CC3=CC=C4C=CC5=CC=C1C=6C2C3=C4C56
Molecular Formula
C20H10
Molecular Weight
250.293
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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