Molecular Identity
Masoprocol
4-[(2S,3R)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol
PubChem CID: 71398
Masoprocol is the meso-form of nordihydroguaiaretic acid. An antioxidant found in the creosote bush, Larrea divaricata, it is a potent lipoxygenase inhibitor that interferes with arachidonic acid metabolism. It also inhibits (though to a lesser extent) formyltetrahydrofolate synthetase, carboxylesterase, and cyclooxygenase. It has a role as a metabolite, a hypoglycemic agent, an antineoplastic agent and a lipoxygenase inhibitor.
2D Structure
Properties
C18H22O4
Molecular Formula
302.40
Molecular Weight
g/mol
302.1518
Exact Mass
Da
4.3
XLogP
Drug-like (Lipinski: < 5)
80.9
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
4
H-Bond Acceptors
303
Complexity
SMILES
Canonical SMILES
SMILES: CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)OIsomeric SMILES
SMILES: C[C@H](CC1=CC(=C(C=C1)O)O)[C@@H](C)CC2=CC(=C(C=C2)O)OSynonyms(20)
Masoprocol27686-84-6meso-NDGAmeso-Nordihydroguaiaretic acidActinexMasoprocolumCHX 100CHX-100meso-4,4'-(2,3-Dimethyltetramethylene)dipyrocatechol1,2-Benzenediol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-, (R*,S*)-ORISTAR NHGADTXSID50451784-[(2S,3R)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol7BO8G1BYQUINSM-18
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Masoprocol
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