NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundAltaicalarins B
NPACT-IdNPACT00243
IUPAC[2-[(1S,3S,4S,6S)-4-acetyloxy-6-methyl-5-oxo-7-oxabicyclo[4.1.0]heptan-3-yl]-6-methylhepta-1,5-dien-3-yl] (Z)-2-methylbut-2-enoate
Synonyms-
PubChem Id46186371
ClassTerpenoids
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeySCWFHGJMMYKSLU-QPEQYQDCSA-N
InChi1S/C20H26O4/c1-7-13(4)20(23)24-17(11-8-12(2)3)15(6)16-10-9-14(5)18(21)19(16)22/h7-10,17,21-22H,6,11H2,1-5H3/b13-7-
SMILESO([C@@H](CC=C(C)C)C(=C)c1c(O)c(O)c(cc1)C)C(=O)/C(=CC)/C
SMART[H]OC1=C(C([H])=C([H])C(=C1O[H])C([H])([H])[H])C(=C([H])[H])[C@@]([H])(OC(=O)C(=C([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])=C(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   No
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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