NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundGuaiacylglycerol
NPACT-IdNPACT01218
IUPAC-
Synonyms1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol;Guaiacylglycerol;4-(1,2,3-trihydroxypropyl)-2-methoxyphenol;1-(3-methoxy-4-hydroxyphenyl)-1,2,3-propanetriol;1-(4-hydroxy-3-methoxyphenyl)-1,2,3-propanetriol;3-(4-hydroxy-3-methoxyphenyl)-1,2,3-propanetriol;
PubChem Id14579
ClassSimple aromatic natural products
In-vitro anticancer activity 5 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyLSKFUSLVUZISST-UHFFFAOYSA-N
InChi1S/C10H14O5/c1-15-9-4-6(2-3-7(9)12)10(14)8(13)5-11/h2-4,8,10-14H,5H2,1H3
SMILESOC(C(O)CO)c1cc(OC)c(O)cc1
SMART[H]OC1=C(OC([H])([H])[H])C([H])=C(C([H])=C1[H])[C@@]([H])(O[H])[C@@]([H])(O[H])C([H])([H])O[H]
CAS No.1208-42-0
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, MolPort, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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