NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundNordihydroguaiaretic acid
NPACT-IdNPACT00818
IUPAC4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol
SynonymsNORDIHYDROGUAIARETIC ACID;Dihydronorguaiaretic acid;Nordihydroguairaretic acid;Norguaiaretic acid, dihydro-;Dinorguaiaretic acid, dihydro-;Norhydroguaiaretic acid;4,4'-(2,3-Dimethyltetramethylene)dipyrocatechol
PubChem Id4534
ClassLignans
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity Yes
TargetsERBB2 | IGF1R |   All | 
Properties Physical   Elemental  Topological
InChi KeyHCZKYJDFEPMADG-UHFFFAOYSA-N
InChi1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3
SMILESOc1cc(C[C@H]([C@@H](Cc2cc(O)c(O)cc2)C)C)ccc1O
SMART[H]OC1=C(O[H])C([H])=C(C([H])=C1[H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C1=C([H])C(O[H])=C(O[H])C([H])=C1[H]
CAS No.500-38-9
Structure
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Cross Refrence in other databases
Super Natural   000500389
CTD   D009637
HIT   -
NCI-60 GI50 data   500-38-9
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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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