Compound | Nordihydroguaiaretic acid |
NPACT-Id | NPACT00818 |
IUPAC | 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol |
Synonyms | NORDIHYDROGUAIARETIC ACID;Dihydronorguaiaretic acid;Nordihydroguairaretic acid;Norguaiaretic acid, dihydro-;Dinorguaiaretic acid, dihydro-;Norhydroguaiaretic acid;4,4'-(2,3-Dimethyltetramethylene)dipyrocatechol |
PubChem Id | 4534 |
Class | Lignans |
In-vitro anticancer activity | 2 cancer cell lines |
In-Vivo anticancer activity | Yes |
Targets | ERBB2 | IGF1R | All | |
Properties | Physical Elemental Topological |
InChi Key | HCZKYJDFEPMADG-UHFFFAOYSA-N |
InChi | 1S/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 |
SMILES | Oc1cc(C[C@H]([C@@H](Cc2cc(O)c(O)cc2)C)C)ccc1O |
SMART | [H]OC1=C(O[H])C([H])=C(C([H])=C1[H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C1=C([H])C(O[H])=C(O[H])C([H])=C1[H] |
CAS No. | 500-38-9 |
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Structure Download |
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Cross Refrence in other databases |
Super Natural | 000500389 |
CTD | D009637 |
HIT | - |
NCI-60 GI50 data | 500-38-9 |
Suppliers | AAA Chemistry, Abbott Labs, ABI Chem, AKos Consulting & Solutions, Ambinter, Biosynth, Calbiochem, ChemExper Chemical
Directory, ChemFrog, ChemMol, IS Chemical Technology, MolPort, MP Biomedicals, R&D Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical
Industry), TimTec, |
Drug-Likeliness Filters | Lipinski's rule of five | Yes |
Ghose filter | Yes |
Veber filter | Yes |
Muegge Filter | Yes |
Similarity Search | Human metabolite database | FDA approved drugs |