NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundT-muurolol
NPACT-IdNPACT01350
IUPAC-
Synonyms(1S,4S,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol;1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,6-dimethyl-4-(1-methylethyl)-, (1S-(1alpha,4alpha,4aalpha,8aalpha))-;
PubChem Id3084331
ClassTerpenoids
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyLHYHMMRYTDARSZ-AJNGGQMLSA-N
InChi1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14-,15-/m0/s1
SMILESO[C@@]1([C@@H]2[C@H]([C@@H](CC1)C(C)C)C=C(CC2)C)C
SMART[H]O[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])[H])[C@]2([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])[C@]12[H]
CAS No.19912-62-0
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C499351
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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