ST086271 Methyl Jasmonate (Mixiture of isomers)

MW: 762.82

MDL: MFCD12965937

TNP:

LogP: -0.22

LogS: -3.15

Acceptors: 8

Donors: 10

Rotation Bonds: 15

Chiral Centers: 0

N+O: 16

LIPINSKY: 2

IUPAC: N-{(1E)-2-[7-(8-{(1E)-2-[(5-methylpyrazol-3-yl)carbonylamino]-2-azavinyl}-1,6, 7-trihydroxy-3-methyl-5-(methylethyl)(2-naphthyl))-2,3,8-trihydroxy-6-methyl-4 -(methylethyl)naphthyl]-1-azavinyl}(5-methylpyrazol-3-yl)carboxamide

Smiles: c1(c2c(c3c(/C=N\NC(=O)c4cc([nH]n4)C)c(O)c(c(c3cc2C)C(C)C)O)O)c(c2c(/C=N\NC(=O)c3n[nH]c(c3)C)c(O)c(c(c2cc1C)C(C)C)O)O

Chemical Compounds - Natural Compounds