Compound | calopocarpin |
NPACT-Id | NPACT01155 |
IUPAC | - |
Synonyms | - |
PubChem Id | 11709595 |
Class | Flavonoid |
In-vitro anticancer activity | 1 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | CYXCYFYWIZXENQ-JXFKEZNVSA-N |
InChi | 1S/C20H20O4/c1-11(2)3-4-12-7-15-18(9-17(12)22)23-10-16-14-6-5-13(21)8-19(14)24-20(15)16/h3,5-9,16,20-22H,4,10H2,1-2H3/t16-,20-/m0/s1 |
SMILES | O1[C@@H]2[C@H](c3c1cc(O)cc3)COc1c2cc(c(O)c1)CC=C(C)C |
SMART | [H]OC1=C([H])C2=C(C([H])=C1[H])[C@]1([H])C([H])([H])OC3=C(C([H])=C(C(O[H])=C3[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@]1([H])O2 |
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 | Ambinter, MolPort, Therapeutic Targets Database, ZINC, |
Drug-Likeliness Filters | Lipinski's rule of five | Yes |
Ghose filter | Yes |
Veber filter | Yes |
Muegge Filter | Yes |
Similarity Search | Human metabolite database | FDA approved drugs |