Cajanin

Datasheet MSDS
Catalog Number
ANC02418
Product Name
Cajanin
CAS Number
32884-36-9
IUPAC Name
3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one
Synonyms
3-(2,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one
Molecular Formula
C16H12O6
Molecular Weight
300.3
Appearance
Yellow Powder
Purity
>98%
Description
Cajanin, also known as cajinin, belongs to the class of organic compounds known as 7-o-methylisoflavones. These are isoflavones with methoxy groups attached to the C7 atom of the isoflavone backbone. Thus, cajanin is considered to be a flavonoid lipid molecule. Cajanin exists as a solid and is considered to be practically insoluble (in water) and relatively neutral. Within the cell, cajanin is primarily located in the membrane (predicted from logP). Outside of the human body, cajanin can be found in coffee and coffee products, pigeon pea, and pulses.
SMILES
COC1=CC(=C2C(=C1)OC=C(C2=O)C3=C(C=C(C=C3)O)O)O
InChI
InChI=1S/C16H12O6/c1-21-9-5-13(19)15-14(6-9)22-7-11(16(15)20)10-3-2-8(17)4-12(10)18/h2-7,17-19H,1H3
InChI Key
ALFNTRJPGFNJQV-UHFFFAOYSA-N
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