NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound3-methylbut-2-enyl caffeate
NPACT-IdNPACT01081
IUPAC-
Synonyms3-methylbut-2-enyl 3-(3,4-dihydroxyphenyl)prop-2-enoate;3-methylbut-2-en-1-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate;
PubChem Id5281790
ClassLignans
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyTTYOHMFLCXENHR-GQCTYLIASA-N
InChi1S/C14H16O4/c1-10(2)7-8-18-14(17)6-4-11-3-5-12(15)13(16)9-11/h3-7,9,15-16H,8H2,1-2H3/b6-4+
SMILESO(CC=C(C)C)C(=O)/C=C/c1cc(O)c(O)cc1
SMART[H]OC1=C(O[H])C([H])=C(C([H])=C(/[H])C(=O)OC([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H])C([H])=C1[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C054126
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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