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Chemical structure of Dihydromunduletone

GC39375

Dihydromunduletone

Also known as 1-(3,7-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-2-(5-methoxy-2,2-dimethylchromen-6-yl)ethanone

Dihydromunduletone (DHM) is a rotenoid derivative and a selective, potent adhesion G protein-coupled receptor (aGPCR) (GPR56 and GPR114/ADGRG5) antagonist with an IC 50 of 20·9 μM for GPR56, but not inhibit GPR110 or class A GPCRs

ChemicalCAS674786-20-0MW424.49FormulaC25H28O6
CAS number
674786-20-0
Molecular weight
424.49
Formula
C25H28O6
Solubility
DMSO： 250 mg/mL (588·94 mM)
InChIKey
RMVZECFNOTWEKD-UHFFFAOYSA-N
Catalogue number
GC39375
Brand
GLPBIO
Computed properties PubChem CID 3492326 · XLogP 4.3 · TPSA 85.2 Ų · H-bond donors 2
XLogP
4.3
TPSA
85.2 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
31

SMILES CC1(C=CC2=C(O1)C=CC(=C2OC)CC(=O)C3=C(C=C4C(=C3)CC(C(O4)(C)C)O)O)C

Computed descriptors from PubChem (CID 3492326), 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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