Compound | Ardisiphenol B |
NPACT-Id | NPACT00276 |
IUPAC | [2-[(8Z,11Z)-heptadeca-8,11-dienyl]-4,6-dihydroxyphenyl] acetate |
Synonyms | - |
PubChem Id | 10248975 |
Class | Organic chemical |
In-vitro anticancer activity | 1 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | QIOIOJNMBXOYMA-HJWRWDBZSA-N |
InChi | 1S/C23H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(25)18-22(26)23(20)27-19(2)24/h8-9,17-18,25-26H,3-7,10-16H2,1-2H3/b9-8- |
SMILES | O(c1c(CCCCCCC/C=CCCCCCC)cc(O)cc1O)C(=O)C |
SMART | [#6]CCCCCC=C/CCCCCCCC1=C(OC([#6])=O)C(O)=CC(O)=C1 |
CAS No. | - |
|
Structure Download |
|
Cross Refrence in other databases |
Super Natural | - |
CTD | C454673 |
HIT | - |
NCI-60 GI50 data | - |
Suppliers | NA, |
Drug-Likeliness Filters | Lipinski's rule of five | No |
Ghose filter | No |
Veber filter | No |
Muegge Filter | No |
Similarity Search | Human metabolite database | FDA approved drugs |