| Compound | Methyl zhankuic acid A |
| NPACT-Id | NPACT00774 |
| IUPAC | methyl(6R)-2-methyl-3-methylidene-6-[(4S,5S,10S,13R,14R,17R)-4,10,13-trimethyl-3,7,11-trioxo-1,2,4,5,6,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoate |
| Synonyms | Zhankuic Acid A Methyl Ester |
| PubChem Id | 53319974 |
| Class | Terpenoids |
| In-vitro anticancer activity | 10 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | BCL2 | CASP3 | PARP1 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | NZJIIJSJLBIJDO-RTMVVRFTSA-N |
| InChi | 1S/C30H42O5/c1-16(18(3)28(34)35-7)8-9-17(2)20-10-11-21-26-24(32)14-22-19(4)23(31)12-13-29(22,5)27(26)25(33)15-30(20,21)6/h17-22H,1,8-15H2,2-7H3/t17-,18?,19+,20-,21+,22+,29+,30-/m1/s1 |
| SMILES | O=C1C[C@]2([C@@H](CC[C@@H]2[C@@H](CCC(=C)[C@H](C)C(=O)OC)C)C2=C1[C@@]1([C@@H](CC2=O)[C@@H](C(=O)CC1)C)C)C |
|
SMART | [#6]OC(=O)[C@@H]([#6])C(=C)CC[C@@H]([#6])[C@H]1CC[C@H]2C3=C(C(=O)C[C@]12[#6])[C@@]1([#6])CCC(=O)[C@@H]([#6])[C@@H]1CC3=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 |