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Chemical structure of Seconeolitsine

GC69873

Seconeolitsine

Also known as N-methyl-2-(4,6,16,18-tetraoxapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),2(10),3(7),8,11,13,15(19)-heptaen-9-yl)ethanamine

Seconeolitsine is an antibiotic and inhibitor of topoisomerase I (TopA)· It is also a new antibacterial agent that can inhibit the growth of S· pneumoniae· Seconeolitsine has activity in inhibiting TopA, with a b>IC50 value of 17 μM· It can be used for research on infections caused by drug-resistant Streptococcus pneumoniae that are resistant to other antibiotics

ChemicalCAS2650074-56-7MW323.34FormulaC19H17NO4
CAS number
2650074-56-7
Molecular weight
323.34
Formula
C19H17NO4
Solubility
DMSO ： 50 mg/mL (154·64 mM; ultrasonic and warming and heat to 80°C)
InChIKey
HVQPSXFBBUUAHU-UHFFFAOYSA-N
Catalogue number
GC69873
Brand
GLPBIO
Computed properties PubChem CID 137642926 · XLogP 3.9 · TPSA 49 Ų · H-bond donors 1
XLogP
3.9
TPSA
49 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
24

SMILES CNCCC1=CC2=C(C3=C1C=CC4=CC5=C(C=C43)OCO5)OCO2

Computed descriptors from PubChem (CID 137642926), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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