NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound2-alpha-hydroxy-3-beta-{[(2E)-3-phenyl-1-oxo-2-propenyl]oxy}urs-12-en-28-oic acid
NPACT-IdNPACT00095
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 KeyQYNZDAXHBDWWFS-PSYHHJDGSA-N
InChi1S/C39H54O5/c1-34(2)19-21-39(33(42)43)22-20-37(6)26(27(39)23-34)14-15-30-36(5)24-28(40)32(35(3,4)29(36)17-18-38(30,37)7)44-31(41)16-13-25-11-9-8-10-12-25/h8-14,16,27-30,32,40H,15,17-24H2,1-7H3,(H,42,43)/b16-13+/t27-,28-,29+,30+,32+,36+,37-,38-,39+/m1/s1
SMILESC1[C@@H]([C@H](C([C@@H]2[C@@]1([C@H]1[C@@](CC2)([C@@H]2C(=CC1)[C@H]1[C@](CC2)(CCC(C1)(C)C)C(=O)O)C)C)(C)C)OC(=O)/C=C/c1ccccc1)O
SMARTO[C@H]1C[C@]2([#6])[C@H](CC[C@@]3([#6])[C@H]4CC[C@@]5(CC[C@@]([#6])([#6])C[C@H]5C4=CC[C@@H]23)C(O)=O)[C@]([#6])([#6])[C@@H]1OC(=O)C=CC1=CC=CC=C1
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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