NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound3-beta-Hydroxy-27-p-(Z)-coumaroyloxyurs-12-en-28-oic acid
NPACT-IdNPACT01459
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyIWPUKOVVDVUPBW-PXQIYYPHSA-N
InChi1S/C40H56O6/c1-25-15-20-39(35(44)45)21-22-40(23-24-46-33(43)14-9-27-7-10-28(41)11-8-27)29(34(39)26(25)2)12-13-31-37(5)18-17-32(42)36(3,4)30(37)16-19-38(31,40)6/h7-12,14,25-26,30-32,34,41-42H,13,15-24H2,1-6H3,(H,44,45)/b14-9-/t25-,26+,30?,31?,32+,34+,37+,3
SMILESC1C[C@@H](C(C2[C@]1(C1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CC[C@H]([C@@H]1C)C)C(=O)O)CCOC(=O)/C=Cc1ccc(cc1)O)C)C)(C)C)O
SMART[#6][C@@H]1CC[C@@]2(CC[C@]3(CCOC(=O)C=C/C4=CC=C(O)C=C4)C(=CCC4[C@@]5([#6])CC[C@H](O)[C@@]([#6])([#6])C5CC[C@@]34[#6])[C@]2([H])[C@H]1[#6])C(O)=O
CAS No.-
Structure
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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.