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Chemical structure of Disinomenine

GC68480

Disinomenine

Also listed as 1,1′-Disinomenine

1,1'-Disinomenine is a type of alkaloid that can be isolated from the stem of Sinomenium acutum· It has weak inhibitory effects on A549 and Hela cells

ChemicalCAS596-58-7MW656.76FormulaC38H44N2O8
CAS number
596-58-7
Molecular weight
656.76
Formula
C38H44N2O8
InChIKey
AXVVWZONCVUAPP-QULPKBGFSA-N
Catalogue number
GC68480
Brand
GLPBIO
Computed properties PubChem CID 24829009 · XLogP 4 · TPSA 118 Ų · H-bond donors 2
XLogP
4
TPSA
118 Ų
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
5
Heavy atoms
48

SMILES CN1CC[C@@]23CC(=O)C(=C[C@@H]2[C@@H]1CC4=C3C(=C(C=C4C5=CC(=C(C6=C5C[C@H]7[C@@H]8[C@@]6(CCN7C)CC(=O)C(=C8)OC)O)OC)OC)O)OC

Computed descriptors from PubChem (CID 24829009), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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