NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundEpicalyxins D
NPACT-IdNPACT00542
IUPAC-
Synonyms-
PubChem Id-
ClassFlavonoid
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyWEGIDAQYKRPWIN-FQNYQIIZSA-N
InChi1S/C37H38O9/c1-45-34-21-31(43)35(37-36(34)32(44)20-33(46-37)24-10-17-29(41)18-11-24)30(42)19-25(23-8-15-28(40)16-9-23)3-2-4-26(38)12-5-22-6-13-27(39)14-7-22/h2-3,6-11,13-18,21,25-26,30,33,38-43H,4-5,12,19-20H2,1H3/b3-2+/t25-,26+,30-,33-/m0/s1
SMILESc1(c2c(c(cc1O)OC)C(=O)C[C@H](O2)c1ccc(cc1)O)[C@@H](O)C[C@H](/C=C/C[C@H](CCc1ccc(cc1)O)O)c1ccc(cc1)O
SMART[#6]OC1=C2C(=O)C[C@H](OC2=C([C@@H](O)C[C@H](C=CC[C@@H](O)CCC2=CC=C(O)C=C2)C2=CC=C(O)C=C2)C(O)=C1)C1=CC=C(O)C=C1
CAS No.193816-93-2
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   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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