Compound | Meso-dihydroguaiaretic acid |
NPACT-Id | NPACT00770 |
IUPAC | 4-[(2S,3R)-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol |
Synonyms | meso-dihydroguaiaretic acid |
PubChem Id | 476856 |
Class | Lignans |
In-vitro anticancer activity | 4 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | PLCG1 | All | |
Properties | Physical Elemental Topological |
InChi Key | ADFOLUXMYYCTRR-OKILXGFUSA-N |
InChi | 1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14+ |
SMILES | O(c1cc(C[C@@H]([C@@H](Cc2cc(OC)c(O)cc2)C)C)ccc1O)C |
SMART | [#6]OC1=C(O)C=CC(C[C@H]([#6])[C@H]([#6])CC2=CC(O[#6])=C(O)C=C2)=C1 |
CAS No. | - |
|
Structure Download |
|
Cross Refrence in other databases |
Super Natural | - |
CTD | C015816 |
HIT | - |
NCI-60 GI50 data | - |
Suppliers | AAA Chemistry, ABI Chem, ZINC, |
Drug-Likeliness Filters | Lipinski's rule of five | No |
Ghose filter | Yes |
Veber filter | Yes |
Muegge Filter | No |
Similarity Search | Human metabolite database | FDA approved drugs |