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Chemical structure of Allosecurinine

GC39304

Allosecurinine

Also known as 14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one

Allosecurinine (Phyllochrysine) is a Securinega alkaloid isolated from M

ChemicalCAS884-68-4MW217.26FormulaC13H15NO2
CAS number
884-68-4
Molecular weight
217.26
Formula
C13H15NO2
Solubility
DMSO： 125 mg/mL (575·35 mM)
InChIKey
SWZMSZQQJRKFBP-UHFFFAOYSA-N
Catalogue number
GC39304
Brand
GLPBIO
Computed properties PubChem CID 267769 · XLogP 1.1 · TPSA 29.5 Ų · H-bond donors 0
XLogP
1.1
TPSA
29.5 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
16

SMILES C1CCN2C(C1)C34CC2C=CC3=CC(=O)O4

Computed descriptors from PubChem (CID 267769), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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