Compound | Inophylloidic acid |
NPACT-Id | NPACT01536 |
IUPAC | - |
Synonyms | - |
PubChem Id | - |
Class | Polycyclic aromatic natural products |
In-vitro anticancer activity | 1 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | BCGTVBFXFNJKLT-UHFFFAOYSA-N |
InChi | 1S/C32H46O6/c1-10-11-21(14-24(33)34)25-28-26(27(35)19(6)20(7)38-28)30(37)32(29(25)36,13-12-17(2)3)16-22-15-23(18(4)5)31(22,8)9/h19-23,37H,2,4,10-16H2,1,3,5-9H3,(H,33,34) |
SMILES | C1(=C2C(=C(C(C1=O)(CC1CC(C1(C)C)C(=C)C)CCC(=C)C)O)C(=O)C(C(O2)C)C)C(CC(=O)O)CCC |
SMART | [#6]CCC(CC(O)=O)C1=C2OC([#6])C([#6])C(=O)C2=C(O)C(CCC([#6])=C)(CC2CC(C([#6])=C)C2([#6])[#6])C1=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 | No |
Muegge Filter | No |
Similarity Search | Human metabolite database | FDA approved drugs |