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Chemical structure of Akuammine

GC49639

Akuammine

Also known as methyl (1S,9S,14E,15S,16R,19S)-14-ethylidene-6-hydroxy-2-methyl-18-oxa-2,12-diazahexacyclo[13.3.2.01,9.03,8.09,16.012,19]icosa-3(8),4,6-triene-16-carboxylate

An indole alkaloid with analgesic activity

ChemicalCAS3512-87-6MW382.5FormulaC22H26N2O4
CAS number
3512-87-6
Molecular weight
382.5
Formula
C22H26N2O4
Solubility
DMF： 2 mg/ml,DMSO： 1 mg/ml,Ethanol： insol,PBS (pH 7·2)： insol
InChIKey
YILKZADAWNUTTB-QLWRWLBVSA-N
Catalogue number
GC49639
Brand
GLPBIO
Computed properties PubChem CID 13491909 · XLogP 1.5 · TPSA 62.2 Ų · H-bond donors 1
XLogP
1.5
TPSA
62.2 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
28

SMILES C/C=C\1/CN2CC[C@@]34C5=C(C=CC(=C5)O)N([C@@]36[C@@H]2C[C@@H]1[C@@]4(CO6)C(=O)OC)C

Computed descriptors from PubChem (CID 13491909), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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