NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compoundalphitolic acid
NPACT-IdNPACT01127
IUPAC-
SynonymsLup-20(29)-en-28-oic acid, 2,3-dihydroxy-;(1R,3aS,5aS,5bR,9R,10R,11aR)-9,10-dihydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysene-3a-carboxylic acid;
PubChem Id470606
ClassTerpenoids
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsGLI1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyYVFUWFRLVWFNLF-LAYMWGLGSA-N
InChi1S/C30H46O4/c1-17(2)18-10-13-30(25(33)34)15-14-28(6)19(23(18)30)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,18,20-24,31-32H,1,9-16H2,2-7H3,(H,33,34)/t18-,20+,21?,22?,23?,24-,27-,28+,29+,30-/m0/s1
SMILESO[C@@H]1C(C2[C@@](C3[C@]([C@]4(C(=CC3)C3[C@@](CC4)(CC[C@H]3C(=C)C)C(=O)O)C)(CC2)C)(C[C@H]1O)C)(C)C
SMART[H]OC(=O)[C@]12C([H])([H])C([H])([H])[C@@]([H])(C(=C(/[H])[H])C([H])([H])[H])[C@@]1([H])C1=C([H])C([H])([H])[C@@]3([H])[C@@]4(C([H])([H])[H])C([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@](C([H])([H])[H])(C([H])([H])[H])[C@]4([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@]1(C([H])([H])[H])C([H])([H])C2([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
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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