Compound: nordihydroguaretic acid
SMILES: Oc1c(O)ccc(c1)CC(C(Cc2cc(O)c(O)cc2)C)C
InChIKey: HCZKYJDFEPMADG-UHFFFAOYSA-N
Synonyms: nordihydroguaretic acid, 2,3-bis(3,4-dihydroxybenzyl)butane, RefChem:854717, NORDIHYDROGUAIARETIC ACID, 500-38-9, NDGA, 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol, Norhydroguaiaretic acid, Norguaiaretic acid, dihydro-, 1,2-Benzenediol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-, NSC 4291, 4,4'-(2,3-Dimethyltetramethylene)dipyrocatechol, 2,3-Bis(3,4-dihydroxyphenylmethyl)butane, MFCD00002206, Pyrocatechol, 4,4'-(2,3-dimethyltetramethylene)di-, 4,4'-(2,3-Dimethyl-1,4-butanediyl)bis(pyrocatechol), nordihydroguaiaretate, CHEMBL52, Butane, 1,4-bis(3,4-dihydroxyphenyl)-2,3-dimethyl-, MLS000069451, 4,4'-(2,3-dimethylbutane-1,4-diyl)bis(benzene-1,2-diol), DTXSID5022437, beta,gamma-Dimethyl-alpha,delta-bis(3,4-dihydroxyphenyl)butane, CHX 100; Masoprocol; meso-NDGA, NSC682984, 4,4'-(2,3-Dimethyl-1,4-butanediyl)bis-1,2-benzenediol, SMR000059049, 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]benzene-1,2-diol, NordihydroGuaiareticAcid-d6, 4,4'-(2,3-dimethylbutane-1,4-diyl)dibenzene-1,2-diol, 4,4'-(2,3-Dimethylbutane-1,4-diyl)di(benzene-1,2-diol), CCRIS 1399, EINECS 207-903-0, Nordihydro Guaiaretic Acid (mixture of diastereomers), Norguaiaretic acid, dihydro, NSC 682984, AI3-23059, nordihydroguaiaretic acid (ndga), NCGC00015741-06, 2,3-Dimethyl-1,4-bis(3,4-dihydroxyphenyl)butane, LOX inhibitor, N/A, Spectrum_001146, nordihydroguajaretic acid, Spectrum5_000735, cid_4534, Oprea1_368609, KBioGR_002349, KBioSS_001626, KBioSS_002352, MLS002153435, MLS006011710, DivK1c_000999, SCHEMBL135976, CHEBI:7625, DTXCID702437, GTPL4265, orb1297668, orb3139936, SCHEMBL29434237, SCHEMBL29434238, BDBM32020, HCZKYJDFEPMADG-UHFFFAOYSA-, HMS503G19, HY-N0198R, KBio1_000999, KBio2_001626, KBio2_002349, KBio2_004194, KBio2_004917, KBio2_006762, KBio2_007485, KBio3_002828, MSK2322, NDGA (Nordihydroguaiaretic acid), cMAP_000026, NINDS_000999, BP_36, HMS2232L16, HMS3370G10, HMS3649M15, HMS5082J11, HY-N0198, Nordihydroguaiaretic acid (Standard), Tox21_302171, EBC-40021, s3984, SBB005930, STL570288, AKOS003367978, CCG-207935, CS-1431, FN26437, SDCCGSBI-0050852.P002, IDI1_000999, NDGA - CAS 500-38-9, SMP2_000272, 4,3-Dimethyltetramethylene)dipyrocatechol, NCGC00015741-04, NCGC00015741-05, NCGC00015741-08, NCGC00015741-09, NCGC00015741-13, NCGC00089785-02, NCGC00089785-03, NCGC00255380-01, AC-24202, AS-58406, CAS-500-38-9, NCI60_003992, ST056220, WLN: QR BQ D1Y1&Y1&1R CQ DQ, XN163193, D0800, NS00013908, Nordihydroguaiaretic acid, >=97.0% (HPLC), .beta.,.delta.-bis(3,4-dihydroxyphenyl)butane, 4,3-Dimethyl-1,4-butanediyl)bis(pyrocatechol), F17140, N-8500, 1, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-, Pyrocatechol,4'-(2,3-dimethyltetramethylene)di-, 4,4'-(2,3-Dimethyltetramethyl-ene)dipyrocatechol, Butane,4-bis(3,4-dihydroxyphenyl)-2,3-dimethyl-, SR-01000003007, Nordihydroguaiaretic acid - mixture of diastereomers, Q7050774, SR-01000003007-2, BRD-A87130939-001-07-9, Z2065671207, PYROCATECHOL,4'- (2,3-DIEMTHYLTETRAMETHYLENE) DI-, 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyrocatechol, .beta.,.gamma.-Dimethyl-.alpha.,.delta.-bis(3,4-dihydroxyphenyl)butane, 4-[4-[3,4-bis(oxidanyl)phenyl]-2,3-dimethyl-butyl]benzene-1,2-diol, Nordihydroguaiaretic acid, >=90% (HPLC), from Larrea divaricata (creosote bush), InChI=1/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3
Theoretical properties:
molecular_formula: C18H22O4
molecular_weight: 302.4 g/mol
exact_mass: 302.15180918 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 4
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 5
heavy_atom_count: 22
topological_polar_surface_area: 80.9 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Nordihydroguaiaretic acid is a tetrol that is butane which is substituted at positions 2 and 3 by 3,4-dihydroxybenzyl groups. Masoprocol, the meso-form found in the leaves of the creosote bush (Larrea divaricata), is a potent lipoxygenase inhibitor. It has a role as a ferroptosis inhibitor, a geroprotector, an antioxidant and a plant metabolite. It is a lignan, a member of catechols and a tetrol.
chebi: A tetrol that is butane which is substituted at positions 2 and 3 by 3,4-dihydroxybenzyl groups. Masoprocol, the <i>meso</i>-form found in the leaves of the creosote bush (<em>Larrea divaricata</em>), is a potent lipoxygenase inhibitor.
chembl: NORDIHYDROGUAIARETIC ACID is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.