Compound | Epicalyxins C |
NPACT-Id | NPACT00541 |
IUPAC | - |
Synonyms | - |
PubChem Id | - |
Class | Flavonoid |
In-vitro anticancer activity | 2 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | SBHDSCOSOCSIRJ-GKOOULJZSA-N |
InChi | 1S/C37H38O8/c1-44-34-22-31(42)35(37-36(34)32(43)21-33(45-37)25-12-19-29(41)20-13-25)30(24-10-17-28(40)18-11-24)6-4-2-3-5-26(38)14-7-23-8-15-27(39)16-9-23/h4,6,8-13,15-20,22,26,30,33,38-42H,2-3,5,7,14,21H2,1H3/b6-4+/t26-,30+,33+/m1/s1 |
SMILES | c1(c(cc(c2c1O[C@@H](CC2=O)c1ccc(cc1)O)OC)O)[C@@H](/C=C/CCC[C@H](CCc1ccc(cc1)O)O)c1ccc(cc1)O |
SMART | [#6]OC1=C2C(=O)C[C@H](OC2=C([C@@H](C=CCCC[C@@H](O)CCC2=CC=C(O)C=C2)C2=CC=C(O)C=C2)C(O)=C1)C1=CC=C(O)C=C1 |
CAS No. | 193816-85-2 |
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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 | No |
Muegge Filter | No |
Similarity Search | Human metabolite database | FDA approved drugs |