NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compoundchicoric acid
NPACT-IdNPACT01167
IUPAC-
SynonymsDicaffeoyl-D-tartaric acid;(1S,2S)-1,2-Bis(3-(3,4-dihydroxyphenyl)prop-2-enoyloxy)ethane-1,2-dicarboxylic acid;Butanedioic acid, 2,3-bis(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-, (2S,3S)-;
PubChem Id5470299
ClassLignans
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyYDDGKXBLOXEEMN-QFZCZCNSSA-N
InChi1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m0/s1
SMILESO([C@@H]([C@H](OC(=O)/C=C/c1cc(O)c(O)cc1)C(=O)O)C(=O)O)C(=O)/C=C/c1cc(O)c(O)cc1
SMART[H]OC(=O)[C@@]([H])(OC(=O)C([H])=C(/[H])C1=C([H])C(O[H])=C(O[H])C([H])=C1[H])[C@]([H])(OC(=O)C([H])=C(/[H])C1=C([H])C(O[H])=C(O[H])C([H])=C1[H])C(=O)O[H]
CAS No.52248-48-3
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C100435
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   Yes
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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