| Compound | Calophynic acid |
| NPACT-Id | NPACT01572 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | - |
| Class | Unknown |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | XHHVPSNSZGKYEC-VIDWYHANSA-N |
| InChi | 1S/C34H40O6/c1-19(2)25-13-12-20(3)16-21(4)14-15-34(18-25)32(39)28(26(17-27(35)36)24-10-8-7-9-11-24)31(38)29-30(37)22(5)23(6)40-33(29)34/h7-12,14,22-23,25-26,38H,1,13,15-18H2,2-6H3,(H,35,36)/b20-12-,21-14+/t22-,23-,25?,26?,34?/m1/s1 |
| SMILES | C1=C(CC(=CCC2(CC(C1)C(=C)C)C(=O)C(=C(C1=C2O[C@@H]([C@H](C1=O)C)C)O)C(c1ccccc1)CC(=O)O)C)C |
|
SMART | [#6][C@H]1OC2=C(C(O)=C(C(CC(O)=O)C3=CC=CC=C3)C(=O)C22CC=C([#6])CC([#6])=C/CC(C2)C([#6])=C)C(=O)[C@@H]1[#6] |
| CAS No. | - |
|
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 |