NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound1-beta,6-alpha-dihydroxy-4(15)-eudesmene
NPACT-IdNPACT00053
IUPAC(1S,2S,4aR,5R)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol
Synonyms-
PubChem Id10466743
ClassTerpenoids
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyWKKJGHCXVKEJNU-AWQNUYMJSA-N
InChi1S/C15H26O2/c1-9(2)11-7-8-15(4)12(16)6-5-10(3)13(15)14(11)17/h9,11-14,16-17H,3,5-8H2,1-2,4H3/t11-,12+,13?,14-,15-/m0/s1
SMILESO[C@@H]1[C@@H]2[C@@](CC[C@H]1C(C)C)([C@H](O)CCC2=C)C
SMART[H]O[C@]1([H])C([H])([H])C([H])([H])C(=C([H])[H])[C@]2([H])[C@@]([H])(O[H])[C@@]([H])(C([H])([H])C([H])([H])[C@@]12C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
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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