Compound | 3-o-(cis-p-coumaroyl)-maslinic acid |
NPACT-Id | NPACT01083 |
IUPAC | - |
Synonyms | 11-hydroxy-10-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
PubChem Id | 5316120 |
Class | Terpenoids |
In-vitro anticancer activity | 6 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | KWLOAKAXMOYBRK-GDNBJRDFSA-N |
InChi | 1S/C39H54O6/c1-34(2)18-20-39(33(43)44)21-19-37(6)26(27(39)22-34)13-14-30-36(5)23-28(41)32(35(3,4)29(36)16-17-38(30,37)7)45-31(42)15-10-24-8-11-25(40)12-9-24/h8-13,15,27-30,32,40-41H,14,16-23H2,1-7H3,(H,43,44)/b15-10- |
SMILES | O(C1C(C2C(C3C(C4(C(=CC3)C3C(CC4)(CCC(C3)(C)C)C(=O)O)C)(CC2)C)(CC1O)C)(C)C)C(=O)/C=Cc1ccc(O)cc1 |
SMART | [H]OC(=O)[C@]12C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])C(=C([H])C([H])([H])[C@@]4([H])[C@]5(C([H])([H])[H])C([H])([H])[C@]([H])(O[H])[C@@]([H])(OC(=O)C([H])=C([H])C6=C([H])C([H])=C(O[H])C([H])=C6[H])[C@](C([H])([H])[H])(C([H])([H])[H])[C@@]5([H])C([H])([H])C([H])([H])[C@]34C([H])([H])[H])[C@]1([H])C([H])([H])[C@](C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H] |
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 | ABI Chem, |
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 |