NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound3-beta,13-beta-dihydroxyurs-11-en-28-oic acid
NPACT-IdNPACT00113
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyBWEZAELZEOOOJT-POCSJANHSA-N
InChi1S/C18H28O5/c1-12(19)23-15-8-10-17(2)9-7-13(5-6-16(20)22-4)11-14(17)18(15,3)21/h5-6,13-15,21H,7-11H2,1-4H3/b6-5+/t13-,14-,15-,17+,18+/m1/s1
SMILESC1[C@]2([C@H](C([C@@H](O)C1)(C)C)CC[C@@]1([C@@H]2C=C[C@]2([C@H]1CC[C@@]1([C@@H]2[C@H]([C@H](CC1)C)C)C(=O)O)O)C)C
SMART[#6][C@H]1CC[C@@]2(CC[C@H]3[C@]4([#6])CC[C@H]5[C@]([#6])([#6])[C@@H](O)CC[C@]5([#6])[C@H]4C=C[C@]3(O)[C@H]2[C@H]1[#6])C(O)=O
CAS No.-
Structure
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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

 






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