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Chemical structure of Isokotanin B

GC43915

Isokotanin B

Also known as 6-(4,7-dimethoxy-5-methyl-2-oxochromen-6-yl)-7-hydroxy-4-methoxy-5-methylchromen-2-one

Isokotanin B is a bicoumarin fungal metabolite originally isolated from A

ChemicalCAS154160-09-5MW424.4FormulaC23H20O8
CAS number
154160-09-5
Molecular weight
424.4
Formula
C23H20O8
Solubility
Soluble in DMSO
InChIKey
SFRGEKKETJXWMS-UHFFFAOYSA-N
Catalogue number
GC43915
Brand
GLPBIO
Computed properties PubChem CID 10432452 · XLogP 3.2 · TPSA 101 Ų · H-bond donors 1
XLogP
3.2
TPSA
101 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
31

SMILES CC1=C(C(=CC2=C1C(=CC(=O)O2)OC)O)C3=C(C=C4C(=C3C)C(=CC(=O)O4)OC)OC

Computed descriptors from PubChem (CID 10432452), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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