Compound | (3S,5S)-3-Hydroxy-5-ethoxy-1-(4-hydroxyphenyl)-7-phenyl-6E-heptene |
NPACT-Id | NPACT01456 |
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 | IADMDBFYOJAYAV-CEFNFVSGSA-N |
InChi | 1S/C21H26O3/c1-2-24-21(15-11-17-6-4-3-5-7-17)16-20(23)14-10-18-8-12-19(22)13-9-18/h3-9,11-13,15,20-23H,2,10,14,16H2,1H3/b15-11+/t20-,21?/m0/s1 |
SMILES | c1cc(ccc1CC[C@@H](CC(/C=C/c1ccccc1)OCC)O)O |
SMART | [#6]COC(C[C@@H](O)CCC1=CC=C(O)C=C1)C=CC1=CC=CC=C1 |
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 | Yes |
Ghose filter | Yes |
Veber filter | Yes |
Muegge Filter | Yes |
Similarity Search | Human metabolite database | FDA approved drugs |