NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundAltaicalarins A
NPACT-IdNPACT00242
IUPAC[2-(2,3-dihydroxy-4-methylphenyl)-6-methylhepta-1,5-dien-3-yl](Z)-2-methylbut-2-enoate
Synonyms-
PubChem Id46186370
ClassTerpenoids
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyXMZPTCCLQHPTRA-JYRVWZFOSA-N
InChi1S/C22H28O6/c1-8-13(4)22(26)28-19(10-9-12(2)3)14(5)17-11-18(24)15(6)20(25)21(17)27-16(7)23/h8-9,11,19,24-25H,5,10H2,1-4,6-7H3/b13-8-
SMILESO([C@H](C(=C)c1c(OC(=O)C)c(O)c(c(O)c1)C)CC=C(C)C)C(=O)/C(=CC)/C
SMART[H]OC1=C(C(O[H])=C(OC(=O)C([H])([H])[H])C(=C1[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])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   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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