NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundPetunidin
NPACT-IdNPACT00856
IUPAC-
Synonyms-
PubChem Id-
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsProteasome |   All | 
Properties Physical   Elemental  Topological
InChi KeyADDPXNOYYJZXTM-UHFFFAOYSA-N
InChi1S/C16H14O7/c1-22-13-4-7(2-3-9(13)17)15-12(20)5-8-10(18)6-11(19)14(21)16(8)23-15/h2-6,15,17-21H,1H3/t15-/m0/s1
SMILESc1(cc(c(c2c1C=C(C(=[O]2)c1cc(c(cc1)O)OC)O)O)O)O
SMART[#6]OC1=CC(=CC=C1O)[C@@H]1OC2=C(O)C(O)=CC(O)=C2C=C1O
CAS No.1429-30-7
Structure
Download

Cross Refrence in other databases
Super Natural   001429307
CTD   C473206
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
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.