Compound | Eichlerialactone |
NPACT-Id | NPACT00519 |
IUPAC | - |
Synonyms | - |
PubChem Id | - |
Class | Terpenoids |
In-vitro anticancer activity | 1 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | LEKUPXHLKIIVCR-QIICUCRQSA-N |
InChi | 1S/C27H42O4/c1-17(2)18-9-15-26(5)21(24(18,3)13-11-22(28)29)8-7-19-20(10-14-25(19,26)4)27(6)16-12-23(30)31-27/h18-21H,1,7-16H2,2-6H3,(H,28,29)/t18-,19-,20+,21-,24+,25-,26-,27+/m1/s1 |
SMILES | C(CC(=O)O)[C@]1([C@@H](C(=C)C)CC[C@@]2([C@@H]1CC[C@@H]1[C@H](CC[C@@]21C)[C@@]1(CCC(=O)O1)C)C)C |
SMART | [#6]C(=C)[C@H]1CC[C@]2([#6])[C@H](CC[C@@H]3[C@H](CC[C@@]23[#6])[C@]2([#6])CCC(=O)O2)[C@@]1([#6])CCC(O)=O |
CAS No. | 37500 |
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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 |