| Compound | 1-cinnamoyl-3-acetyl-11-methoxymeliacarpinin |
| NPACT-Id | NPACT00054 |
| IUPAC | Methyl (1S,4S,5R,6S,7R,8S,10S,14S,15S,16R,18S,19R,22R,23R,25S,26S)-23-acetoxy-7,14-dihydroxy-4-methoxy-6,16,22-trimethyl-25-{[(2E)-3-phenyl-2-propenoyl]oxy}-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.18,1 5.01,5.06,18.07,16.010,14.022,26]heptacos-12-ene-4-carboxylate |
| Synonyms | Meliacarpinin A |
| PubChem Id | 10327653 |
| 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 | DXADLTAZYMMMNI-AWMFJOPCSA-N |
| InChi | 1S/C39H46O14/c1-20(40)50-23-17-24(51-26(41)13-12-21-10-8-7-9-11-21)36-19-49-38(46-6,31(42)45-5)30(36)34(3)29(27-28(36)33(23,2)18-48-27)53-35(4)22-16-25(39(34,35)44)52-32-37(22,43)14-15-47-32/h7-15,22-25,27-30,32,43-44H,16-19H2,1-6H3/b13-12+/t22-,23-,24+,2 |
| SMILES | O1[C@H]2[C@]([C@H]3[C@@]4([C@H]5[C@H]2OC[C@@]5([C@H](OC(=O)C)C[C@@H]4OC(=O)/C=C/c2ccccc2)C)CO[C@]3(OC)C(=O)OC)([C@]2(O)[C@]1([C@H]1C[C@@H]2O[C@@H]2OC=C[C@]12O)C)C |
|
SMART | [#6]OC(=O)[C@@]1(O[#6])OC[C@@]23[C@H]4[C@@H](OC[C@]4([#6])[C@@H](C[C@@H]2OC(=O)C=CC2=CC=CC=C2)OC([#6])=O)[C@H]2O[C@]4([#6])[C@H]5C[C@H](O[C@@H]6OC=C[C@]56O)[C@]4(O)[C@@]2([#6])[C@H]13 |
| CAS No. | 155173-62-9 |
|
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 |