Compound | 3-oxo-friedelan-28 oic acid |
NPACT-Id | NPACT00146 |
IUPAC | - |
Synonyms | - |
PubChem Id | 469744 |
Class | Terpenoids |
In-vitro anticancer activity | 7 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | QZNNDFPVPLYXIF-XWAIPUFASA-N |
InChi | 1S/C30H48O3/c1-19-20(31)8-9-21-26(19,4)11-10-22-27(21,5)13-14-29(7)23-18-25(2,3)12-16-30(23,24(32)33)17-15-28(22,29)6/h19,21-23H,8-18H2,1-7H3,(H,32,33)/t19-,21?,22?,23?,26+,27-,28+,29-,30-/m0/s1 |
SMILES | OC(=O)[C@]12[C@H]([C@]3([C@@]([C@@H]4[C@]([C@H]5[C@](CC4)([C@H](C(=O)CC5)C)C)(CC3)C)(CC1)C)C)CC(CC2)(C)C |
SMART | [#6][C@H]1C(=O)CC[C@@H]2[C@]1([#6])CC[C@H]1[C@@]2([#6])CC[C@@]2([#6])[C@@H]3C[C@@]([#6])([#6])CC[C@@]3(CC[C@]12[#6])C(O)=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 |