NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundCresol
NPACT-IdNPACT00442
IUPAC(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid
Synonymsm-cresol; o-cresol; p-cresol; 2-methylphenol; 3-methylphenol; 4-methylphenol; Methylphenol tricresol
PubChem Id24693
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyQTWJRLJHJPIABL-UHFFFAOYSA-N
InChi1S/3C7H8O/c1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8/h3*2-5,8H,1H3
SMILESOc1c(cccc1)C.Oc1cc(ccc1)C.Oc1ccc(cc1)C
SMART[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H].[H]OC1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])[H].[H]OC1=C([H])C([H])=C([H])C([H])=C1C([H])([H])[H]
CAS No.106-44-5
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C077977
HIT   C0567
NCI-60 GI50 data   -
Suppliers ABI Chem, Amadis Chemical, ChemFrog, Sigma-Aldrich, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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