NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound7,4'-dihydroxy-8-methylflavan
NPACT-IdNPACT01103
IUPAC-
Synonyms(2S)-2-(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol
PubChem Id442361
ClassFlavonoid
In-vitro anticancer activity 5 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyGDHZZZRERDPSTA-HNNXBMFYSA-N
InChi1S/C16H16O3/c1-10-14(18)8-4-12-5-9-15(19-16(10)12)11-2-6-13(17)7-3-11/h2-4,6-8,15,17-18H,5,9H2,1H3/t15-/m0/s1
SMILESO1[C@@H](CCc2c1c(c(O)cc2)C)c1ccc(O)cc1
SMART[H]OC1=C([H])C([H])=C(C([H])=C1[H])[C@@]1([H])OC2=C(C([H])=C([H])C(O[H])=C2C([H])([H])[H])C([H])([H])C1([H])[H]
CAS No.75412-98-5
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   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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