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Chemical structure of Neosalvianen

GC72042

Neosalvianen

Also known as 5,9,17,17-tetramethyl-3,10-dioxa-8-azapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),4,7(11),8,13(18),19-heptaene

Neosalvianen is a N-containing compound that shows cytotoxic activities against the HeLa, HepG2, and OVCAR-3 cell lines, with IC50 of 63·9 µM, 59·2 µM, and 74·6 µM, respectively

ChemicalCAS790673-00-6MW319.4FormulaC21H21NO2
CAS number
790673-00-6
Molecular weight
319.4
Formula
C21H21NO2
InChIKey
XIEAHUZPQQITDN-UHFFFAOYSA-N
Catalogue number
GC72042
Brand
GLPBIO
Computed properties PubChem CID 11472648 · XLogP 5.5 · TPSA 39.2 Ų · H-bond donors 0
XLogP
5.5
TPSA
39.2 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
24

SMILES CC1=COC2=C1C3=C(C4=C2C=CC5=C4CCCC5(C)C)OC(=N3)C

Computed descriptors from PubChem (CID 11472648), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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