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Chemical structure of Aristololactam IIIa

GC71907

Aristololactam IIIa

Also known as 16-hydroxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one

Aristololactam IIIa exhibits significant inhibitory effects on superoxide anion generation and elastase release with IC50 values of 0·12 and 0·20 μg/mL, respectively

ChemicalCAS97399-89-8MW279.25FormulaC16H9NO4
CAS number
97399-89-8
Molecular weight
279.25
Formula
C16H9NO4
InChIKey
XCYLMCOZDQCDRH-UHFFFAOYSA-N
Catalogue number
GC71907
Brand
GLPBIO
Computed properties PubChem CID 5319620 · XLogP 2.8 · TPSA 67.8 Ų · H-bond donors 2
XLogP
2.8
TPSA
67.8 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
21

SMILES C1OC2=C(O1)C3=C4C=C(C=CC4=CC5=C3C(=C2)C(=O)N5)O

Computed descriptors from PubChem (CID 5319620), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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