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Chemical structure of Geissoschizine methyl ether

GC38529

Geissoschizine methyl ether

Also known as methyl (Z)-2-[(2S,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate

Geissoschizine methyl ether, a major indole alkaloid found in Uncaria hook, is a major active component of Yokukansan with psychotropic effects

ChemicalCAS60314-89-8MW366.45FormulaC22H26N2O3
CAS number
60314-89-8
Molecular weight
366.45
Formula
C22H26N2O3
Solubility
Soluble in DMSO
InChIKey
VAMJZLUOKJRHOW-XEASWFAXSA-N
Catalogue number
GC38529
Brand
GLPBIO
Computed properties PubChem CID 6443046 · XLogP 2.7 · TPSA 54.6 Ų · H-bond donors 1
XLogP
2.7
TPSA
54.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
27

SMILES C/C=C\1/CN2CCC3=C([C@@H]2C[C@@H]1/C(=C/OC)/C(=O)OC)NC4=CC=CC=C34

Computed descriptors from PubChem (CID 6443046), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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