NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compoundherbacetin 3,8,4'-trimethyl ether
NPACT-IdNPACT01224
IUPAC-
Synonyms5,4'-Dihydroxy-3,7,8-trimethoxyflavone;5-hydroxy-2-(4-hydroxyphenyl)-3,7,8-trimethoxychromen-4-one;4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-3,7,8-trimethoxy-;;
PubChem Id-
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyBRQLNEYSTDBILN-UHFFFAOYSA-N
InChi1S/C18H16O6/c1-9-4-6-10(7-5-9)15-18(23-3)14(21)13-11(19)8-12(20)16(22-2)17(13)24-15/h4-8,19-20H,1-3H3
SMILESc1(c(cc(c2c1oc(c(c2=O)OC)c1ccc(cc1)C)O)O)OC
SMART[#6]OC1=C(O)C=C(O)C2=C1OC(=C(O[#6])C2=O)C1=CC=C([#6])C=C1
CAS No.6586-29-4
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.