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Chemical structure of Isodiospyrin

GC69293

Isodiospyrin

Also known as 5-hydroxy-6-(4-hydroxy-2-methyl-5,8-dioxonaphthalen-1-yl)-7-methylnaphthalene-1,4-dione

Isodiospyrin is a natural dimeric naphthoquinone and an inhibitor of human DNA topoisomerase I (topoisomerase), which prevents DNA relaxation and kinase activity of human topoisomerase I· Isodiospyrin has anticancer, antibacterial, and antifungal activities

ChemicalCAS20175-84-2MW374.34FormulaC22H14O6
CAS number
20175-84-2
Molecular weight
374.34
Formula
C22H14O6
InChIKey
OEEOHKZVBKYMBA-UHFFFAOYSA-N
Catalogue number
GC69293
Brand
GLPBIO
Computed properties PubChem CID 99298 · XLogP 3.7 · TPSA 109 Ų · H-bond donors 2
XLogP
3.7
TPSA
109 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
1
Heavy atoms
28

SMILES CC1=CC2=C(C(=O)C=CC2=O)C(=C1C3=C4C(=O)C=CC(=O)C4=C(C=C3C)O)O

Computed descriptors from PubChem (CID 99298), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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