Met000182: 2,2'-Disinomenine

  Metabolite Information

Name
2,2'-Disinomenine
IUPAC Name
(1R,9S,10S)-3-hydroxy-5-[(1R,9S,10S)-3-hydroxy-4,12-dimethoxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-5-yl]-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-13-one
Molecular Formula
C38H44N2O8
Molecular Weight
656.8
Exact Mass
656.3097664
SMILES
CN1CCC23CC(=O)C(=CC2C1CC4=CC(=C(C(=C34)O)OC)C5=C(C(=C6C(=C5)CC7C8C6(CCN7C)CC(=O)C(=C8)OC)O)OC)OC
InChIKey
HPPAEVBARLOWJB-QULPKBGFSA-N
InChI
InChI=1S/C38H44N2O8/c1-39-9-7-37-17-27(41)29(45-3)15-23(37)25(39)13-19-11-21(35(47-5)33(43)31(19)37)22-12-20-14-26-24-16-30(46-4)28(42)18-38(24,8-10-40(26)2)32(20)34(44)36(22)48-6/h11-12,15-16,23-26,43-44H,7-10,13-14,17-18H2,1-6H3/t23-,24-,25+,26+,37-,38-/m1/s1
Other Databases Link
PubChem:24770039

  Structure

  2D Structure
  3D Structure

  Classification 

(data sourced from ClassyFire)

Kingdom: Organic compounds
    Superclass: Alkaloids and derivatives
        Class: Morphinans
            Subclass: NA

  Crops containing this metabolite

loquat

  Metabolite Spectrum Accession Label

LOQ00020n