Compound | Mangostenone D |
NPACT-Id | NPACT00750 |
IUPAC | 5,9,11-trihydroxy-3,3-dimethyl-10-(3-methylbut-2-enyl)-1,2-dihydropyrano[3,2-a]xanthen-12-one |
Synonyms | - |
PubChem Id | 11696901 |
Class | Simple aromatic natural products |
In-vitro anticancer activity | 3 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | VEUQWGPUUYXBDE-UHFFFAOYSA-N |
InChi | 1S/C23H24O6/c1-11(2)5-6-12-14(24)9-17-19(20(12)26)21(27)18-13-7-8-23(3,4)29-22(13)15(25)10-16(18)28-17/h5,9-10,24-26H,6-8H2,1-4H3 |
SMILES | O1C(CCc2c1c(O)cc1oc3c(c(=O)c21)c(O)c(c(O)c3)CC=C(C)C)(C)C |
SMART | [#6]C([#6])=CCC1=C(O)C2=C(OC3=C(C2=O)C2=C(O[C@@]([#6])([#6])CC2)C(O)=C3)C=C1O |
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 | No |
Ghose filter | Yes |
Veber filter | Yes |
Muegge Filter | No |
Similarity Search | Human metabolite database | FDA approved drugs |