MW: 226.23
CAS: 6902-77-8
MDL:
TNP: TNP00646
cyclopenta(c)pyran-4-carboxylicacid,1,4a-alpha,5,7a-alpha-tetrahydro-1-hydrox; GENIPIN; 1,4a,5,7a-tetrahydro-1-hydroxy-7-(hydroxymethyl)-cyclopenta(c)pyran-4-carboxylic acid methyl ester; Methyl (1S,2R,6S)-2-hydroxy-9-(hydroxymethyl)-3-oxabicyclo[4.3.0]nona-
LogP: 0.67
LogS: -2.95
Acceptors: 5
Donors: 2
Rotation Bonds: 4
Chiral Centers: 3
N+O: 5
LIPINSKY: 4
IUPAC: methyl (4aS,7aS,1R)-1-hydroxy-7-(hydroxymethyl)-1,5,4a,7a-tetrahydro-4aH-cyclo penta[1,2-d]pyran-4-carboxylate
Smiles: C(C1=CC[C@@H]2(C(=CO[C@H]([C@H]12)O)C(OC)=O))O
SOURCE: Genipin is an aglycone derived from geniposide, which is found in the fruit of Gardenia jasminoides Elli
ACTIVITY: Genipin is a hydrolytic product of geniposide, which is found in the fruit of Gardenia jasminoides Ellis. The components of the fruit have been used in traditional Chinese medicine and as a blue colorant by food industries in East Asia. The structure of genipin was discovered in the 1960
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