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Chemical structure of Orobol

GC69633

Orobol

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

Orobol is a major soy isoflavone with various pharmacological activities, including anti-aging and anti-obesity effects· Orobol inhibits CK1ε, VEGFR2, MAP4K5, MNK1, MUSK, TOPK and TNIK (IC50=1·24-4·45 μM)· Orobol also inhibits PI3K subtypes (for PI3K α/β/γ/K/δ, IC50=3·46-5·27 μM)

ChemicalCAS480-23-9MW286.24FormulaC15H10O6
CAS number
480-23-9
Molecular weight
286.24
Formula
C15H10O6
Solubility
DMSO ： 50 mg/mL (174·68 mM; Need ultrasonic)
InChIKey
IOYHCQBYQJQBSK-UHFFFAOYSA-N
Catalogue number
GC69633
Brand
GLPBIO
Computed properties PubChem CID 5281801 · XLogP 2.3 · TPSA 107 Ų · H-bond donors 4
XLogP
2.3
TPSA
107 Ų
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
1
Heavy atoms
21

SMILES C1=CC(=C(C=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O)O

Computed descriptors from PubChem (CID 5281801), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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