NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundEpicalyxins K
NPACT-IdNPACT00546
IUPAC7-hydroxy-2-(4-hydroxyphenyl)-8-[(2S,4R,6S)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]oxan-4-yl]-5-methoxy-2,3-dihydrochromen-4-one
Synonyms-
PubChem Id10348279
ClassFlavonoid
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyJHPJOKVLYIDVMB-DXOCUVQASA-N
InChi1S/C35H34O8/c1-41-32-19-28(39)33(35-34(32)29(40)18-31(43-35)22-7-13-26(38)14-8-22)23-16-27(15-4-20-2-9-24(36)10-3-20)42-30(17-23)21-5-11-25(37)12-6-21/h2-3,5-14,19,23,27,30-31,36-39H,4,15-18H2,1H3/t23-,27+,30+,31?/m1/s1
SMILESO1[C@H](C[C@H](C[C@H]1c1ccc(O)cc1)c1c2O[C@@H](CC(=O)c2c(OC)cc1O)c1ccc(O)cc1)CCc1ccc(O)cc1
SMART[#6]OC1=C2C(=O)C[C@H](OC2=C([C@@H]2C[C@H](CCC3=CC=C(O)C=C3)O[C@@H](C2)C2=CC=C(O)C=C2)C(O)=C1)C1=CC=C(O)C=C1
CAS No.332877-79-9
Structure
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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   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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