Compound | Garcinone C |
NPACT-Id | NPACT00599 |
IUPAC | - |
Synonyms | - |
PubChem Id | - |
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 | JQCKGYUXMNYXDA-UHFFFAOYSA-N |
InChi | 1S/C25H30O7/c1-13(2)7-5-8-14-16(26)11-19-21(23(14)29)24(30)20-15(9-6-10-25(3,4)31)22(28)17(27)12-18(20)32-19/h7,11-12,26-29,31H,5-6,8-10H2,1-4H3 |
SMILES | c1(c(c(cc2c1c(=O)c1c(o2)cc(c(c1O)CCC=C(C)C)O)O)O)CCCC(C)(C)O |
SMART | [H]C1=C(O)C(O)=C(CCC[C@@]([#6])([#6])O)C2=C1OC1=C(C(O)=C(CCC=C([#6])[#6])C(O)=C1)C2=O |
CAS No. | - |
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Structure Download |
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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 | No |
Veber filter | Yes |
Muegge Filter | No |
Similarity Search | Human metabolite database | FDA approved drugs |