NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound20-epibryonolic acid
NPACT-IdNPACT00069
IUPAC(2R,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid
Synonyms-
PubChem Id472768
ClassTerpenoids
In-vitro anticancer activtiy 4 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyBHVJSLPLFOAMEV-FPLINDMSSA-N
InChi1S/C30H48O3/c1-25(2)21-9-8-20-19(28(21,5)12-11-23(25)31)10-13-30(7)22-18-27(4,24(32)33)15-14-26(22,3)16-17-29(20,30)6/h21-23,31H,8-18H2,1-7H3,(H,32,33)/t21-,22+,23-,26+,27+,28+,29+,30-/m0/s1
SMILESO[C@@H]1C([C@H]2[C@@](C3=C([C@@]4([C@]([C@H]5[C@@](CC4)(CC[C@@](C5)(C)C(=O)O)C)(CC3)C)C)CC2)(CC1)C)(C)C
SMART[#6][C@@]1([#6])[C@@H](O)CC[C@@]2([#6])[C@H]1CCC1=C2CC[C@@]2([#6])[C@@H]3C[C@@]([#6])(CC[C@]3([#6])CC[C@]12[#6])C(O)=O
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C533643
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, Kingston Chemistry, 
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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