NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundOlean-12-en-3-beta-ol
NPACT-IdNPACT00828
IUPAC(3S,6aR,6bS,8aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
Synonyms-
PubChem Id6708529
ClassTerpenoids
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyJFSHUTJDVKUMTJ-KOMNAURRSA-N
InChi1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21?,22?,23?,24-,27+,28-,29+,30+/m0/s1
SMILESO[C@@H]1C([C@H]2[C@@]([C@H]3[C@]([C@]4(C(=CC3)[C@@H]3[C@@](CC4)(CCC(C3)(C)C)C)C)(CC2)C)(CC1)C)(C)C
SMART[#6][C@]1([#6])CC[C@]2([#6])CC[C@]3([#6])C(=CC[C@H]4[C@@]5([#6])CC[C@H](O)[C@@]([#6])([#6])[C@@H]5CC[C@@]34[#6])[C@H]2C1
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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