NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compoundalpha-amyrin
NPACT-IdNPACT00232
IUPAC-
Synonymsalpha-Amyrenol;alpha-Amyrine;Viminalol
PubChem Id73170
ClassTerpenoids
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyFSLPMRQHCOLESF-SFMCKYFRSA-N
InChi1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1
SMILESO[C@@H]1C([C@H]2[C@@]([C@@H]3[C@]([C@]4(C(=CC3)[C@H]3[C@@](CC4)(CC[C@H]([C@@H]3C)C)C)C)(CC2)C)(CC1)C)(C)C
SMART[#6][C@@H]1CC[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]2[C@H]1[#6]
CAS No.638-95-9
Structure
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Cross Refrence in other databases
Super Natural   000638959
CTD   C036380
HIT   C0066
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, ChemMol, R&D Chemicals, Sigma-Aldrich, ZINC, 
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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