NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundCalyxins K
NPACT-IdNPACT00386
IUPAC(E)-1-[(2R,4R)-5-hydroxy-4-[(2S)-2-hydroxy-4-(4-hydroxyphenyl)butyl]-2-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-8-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Synonyms-
PubChem Id42608061
ClassFlavonoid
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyJHPJOKVLYIDVMB-ODEVMTCCSA-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?/m0/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[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])[C@]1([H])O[C@]([H])(C2=C([H])C([H])=C(O[H])C([H])=C2[H])C([H])([H])[C@]([H])(C2=C3O[C@]([H])(C4=C([H])C([H])=C(O[H])C([H])=C4[H])C([H])([H])C(=O)C3=C(OC([H])([H])[H])C([H])=C2O[H])C1([H])[H]
CAS No.332877-78-8
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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