Compound | 3'-demethoxy-6-O-demethylisoguaicin |
NPACT-Id | NPACT01463 |
IUPAC | - |
Synonyms | - |
PubChem Id | - |
Class | Lignans |
In-vitro anticancer activity | 1 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | KVQNZHBGJXIMPI-LSSOAPJISA-N |
InChi | 1S/C18H20O3/c1-10-7-13-8-16(20)17(21)9-15(13)18(11(10)2)12-3-5-14(19)6-4-12/h3-6,8-11,18-21H,7H2,1-2H3/t10-,11-,18?/m1/s1 |
SMILES | c1cc(ccc1C1[C@@H]([C@@H](Cc2c1cc(c(c2)O)O)C)C)O |
SMART | [#6][C@@H]1CC2=C(C=C(O)C(O)=C2)C([C@@H]1[#6])C1=CC=C(O)C=C1 |
CAS No. | - |
|
Structure Download |
|
Cross Refrence in other databases |
Super Natural | - |
CTD | - |
HIT | - |
NCI-60 GI50 data | - |
Suppliers | NA, |
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 |