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Auriculasin

CAT: 0931-TN3471Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN3471Size:5 mg
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CAS Number
60297-37-2
Target
Cannabinoid Receptor, Others
Related Pathways
GPCR/G Protein, Others
Bioactivity
Auriculasin is a natural product of Derris, Fabaceae. The catalog number is TN3471 and the CAS number is 60297-37-2. Auriculasin can be used as a reference standard.
Smiles
CC(C)=CCc1c2OC(C)(C)C=Cc2c(O)c2c1occ(-c1ccc(O)c(O)c1)c2=O
Molecular Formula
C25H24O6
Molecular Weight
420.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Auriculasin

Auriculasin is a member of isoflavanones.

CAS Number60297-37-2
PubChem CID5358846
IUPAC Name7-(3,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one
Molecular FormulaC25H24O6
Molecular Weight420.5
XLogP5.5
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity792
SMILES
CC(=CCC1=C2C(=C(C3=C1OC=C(C3=O)C4=CC(=C(C=C4)O)O)O)C=CC(O2)(C)C)C
InChI
InChI=1S/C25H24O6/c1-13(2)5-7-16-23-15(9-10-25(3,4)31-23)21(28)20-22(29)17(12-30-24(16)20)14-6-8-18(26)19(27)11-14/h5-6,8-12,26-28H,7H2,1-4H3
InChIKey
PSEBCAMYGWGJMH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Auriculasin
CAS: 60297-37-2
CID: 5358846
Formula: C25H24O6
MW: 420.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.5
XLogP35.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass420.15728848
Monoisotopic Mass420.15728848
Topological Polar Surface Area96.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity792
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

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