Compound | Epicalyxins F |
NPACT-Id | NPACT00543 |
IUPAC | (E)-1-[2,4-dihydroxy-3-[(2S,4R,6S)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]oxan-4-yl]-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one |
Synonyms | - |
PubChem Id | 11635614 |
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 | LPRJKEYEZOKENY-VKTVXKIRSA-N |
InChi | 1S/C35H34O8/c1-42-32-20-30(40)33(35(41)34(32)29(39)17-7-22-4-12-26(37)13-5-22)24-18-28(16-6-21-2-10-25(36)11-3-21)43-31(19-24)23-8-14-27(38)15-9-23/h2-5,7-15,17,20,24,28,31,36-38,40-41H,6,16,18-19H2,1H3/b17-7+/t24-,28+,31+/m1/s1 |
SMILES | O1[C@H](C[C@H](C[C@H]1c1ccc(O)cc1)c1c(O)c(c(OC)cc1O)C(=O)/C=C/c1ccc(O)cc1)CCc1ccc(O)cc1 |
SMART | [H]OC1=C([H])C([H])=C(C([H])=C(/[H])C(=O)C2=C(OC([H])([H])[H])C([H])=C(O[H])C(=C2O[H])[C@@]2([H])C([H])([H])[C@]([H])(O[C@@]([H])(C([H])([H])C([H])([H])C3=C([H])C([H])=C(O[H])C([H])=C3[H])C2([H])[H])C2=C([H])C([H])=C(O[H])C([H])=C2[H])C([H])=C1[H] |
CAS No. | - |
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Structure Download |
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Cross Refrence in other databases |
Super Natural | - |
CTD | C410689 |
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 |