Compound | 3,6-Epidioxy-1,10-bisaboladiene |
NPACT-Id | NPACT00110 |
IUPAC | 1-methyl-4-(6-methylhept-5-en-2-yl)-2,3-dioxabicyclo[2.2.2]oct-5-ene |
Synonyms | - |
PubChem Id | 10014355 |
Class | Terpenoids |
In-vitro anticancer activity | 2 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | CASP3 | CASP7 | CASP8 | CASP9 | MAPK1 | All | |
Properties | Physical Elemental Topological |
InChi Key | LQQPBZXRTDBTDG-UHFFFAOYSA-N |
InChi | 1S/C15H24O2/c1-12(2)6-5-7-13(3)15-10-8-14(4,9-11-15)16-17-15/h6,8,10,13H,5,7,9,11H2,1-4H3 |
SMILES | O1O[C@@]2(CC[C@@]1([C@H](CCC=C(C)C)C)C=C2)C |
SMART | [#6][C@@H](CCC=C([#6])[#6])[C@@]12CC[C@@]([#6])(OO1)C=C2 |
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 |