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ST072177 Chrysophanic acid

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Chrysophanic acid

481-74-3

MFCD00001208

1,8-dihydroxy-3-methylanthracene-9,10-dione

ST072177 Chrysophanic acid

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IDENTIFIER
IDNUMBERNAMECASMDL
ST072177Chrysophanic acid481-74-3MFCD00001208
IUPACNAME
1,8-dihydroxy-3-methylanthracene-9,10-dione
Smiles
c12C(c3c(O)cccc3C(c1cc(cc2O)C)=O)=O
INCHI
InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3
INCHIKEY
InChIKey=LQGUBLBATBMXHT-UHFFFAOYSA-N
Chem-Physical
FormulaMolecular WeightSALTAbsorption
C15H10O4254.240.98
LogPLogSLipinskyAcceptors
1.47-3.3544
DonorsRotation BondsChiral CentersN+O
2204
SOURCE
Occurs in the free state and as glucoside in cascara sagrada, senna and various species of Rumex and Rheum (rhubarb). Isoln from rhubarb root
REFERENCE
Merck 13, 2280