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Chemical structure of 4'-Methylchrysoeriol

GC33071

4'-Methylchrysoeriol

Also known as 2-(3,4-dimethoxyphenyl)-5,7-dihydroxychromen-4-one

4'-Methylchrysoeriol is a potent inhibitor of Cytochrome P450 enzymes, with an IC50 of 19 nM for human P450 1B1-dependent EROD

ChemicalCAS4712-12-3MW314.29FormulaC17H14O6
CAS number
4712-12-3
Molecular weight
314.29
Formula
C17H14O6
Solubility
DMSO : 20·83 mg/mL (66·28 mM);Water : < 0·1 mg/mL (insoluble)
InChIKey
AOLOMULCAJQEIG-UHFFFAOYSA-N
Catalogue number
GC33071
Brand
GLPBIO
Computed properties PubChem CID 5351234 · XLogP 2 · TPSA 85.2 Ų · H-bond donors 2
XLogP
2
TPSA
85.2 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
23

SMILES COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OC

Computed descriptors from PubChem (CID 5351234), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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