Compound | 2'R,4'-hydroxyemoroidocarpan |
NPACT-Id | NPACT00103 |
IUPAC | - |
Synonyms | - |
PubChem Id | 46939793 |
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 | KSESTLPJESZHFG-ZSDSOXJFSA-N |
InChi | 1S/C21H18O6/c1-10(7-22)15-3-11-2-13-17(5-16(11)26-15)23-8-14-12-4-19-20(25-9-24-19)6-18(12)27-21(13)14/h2,4-6,14-15,21-22H,1,3,7-9H2/t14-,15+,21-/m0/s1 |
SMILES | O1[C@@H]2[C@H](c3c1cc1OCOc1c3)COc1c2cc2C[C@@H](Oc2c1)C(=C)CO |
SMART | OCC(=C)[C@H]1CC2=CC3=C(OC[C@@H]4[C@H]3OC3=CC5=C(OCO5)C=C43)C=C2O1 |
CAS No. | 24612-37-1;24480-44-2 |
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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 | Yes |
Ghose filter | Yes |
Veber filter | Yes |
Muegge Filter | Yes |
Similarity Search | Human metabolite database | FDA approved drugs |