NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundCalyxins F
NPACT-IdNPACT00381
IUPAC7-hydroxy-2-(4-hydroxyphenyl)-8-[(2R,6S)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]oxan-4-yl]-5-methoxy-2,3-dihydrochromen-4-one
Synonymsepicalyxin F
PubChem Id44559998
ClassFlavonoid
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyLPRJKEYEZOKENY-KBYRMXMQSA-N
InChi1S/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
SMILESO1[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[#6]OC1=C(C(=O)C=CC2=CC=C(O)C=C2)C(O)=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
CAS No.205313-09-3
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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