NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundOlean-12-en-2-alpha,3-beta-diol
NPACT-IdNPACT00826
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activtiy 3 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyQSXZSWHSPZZEGO-CSQLLMMOSA-N
InChi1S/C30H50O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)17-25)9-10-23-28(6)18-21(31)24(32)26(3,4)22(28)11-12-30(23,29)8/h9,20-24,31-32H,10-18H2,1-8H3/t20-,21-,22+,23+,24+,27-,28+,29-,30-/m1/s1
SMILESC1[C@H]([C@@H](C([C@H]2[C@]1([C@H]1[C@@](CC2)([C@]2(C(=CC1)[C@@H]1[C@@](CC2)(CCC(C1)(C)C)C)C)C)C)(C)C)O)O
SMART[#6][C@]1([#6])CC[C@]2([#6])CC[C@]3([#6])C(=CC[C@H]4[C@@]5([#6])C[C@@H](O)[C@H](O)[C@@]([#6])([#6])[C@@H]5CC[C@@]34[#6])[C@H]2C1
CAS No.-
Structure
Download

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

 






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