NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound(+)-Pinoresinol
NPACT-IdNPACT00008
IUPAC4-[(3S,3aR,6S,6aR)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
Synonyms(+)-Pinoresinol;4,4'-(1s,3ar,4s,6ar)-tetrahydro-1h,3h-furo[3,4-c]furan-1,4-diylbis(2-methoxyphenol)
PubChem Id73399
ClassLignans
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsBAX |   All | 
Properties Physical   Elemental  Topological
InChi KeyHGXBRUKMWQGOIE-AFHBHXEDSA-N
InChi1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m0/s1
SMILESO1[C@@H]([C@@H]2[C@@H]([C@H](OC2)c2cc(OC)c(O)cc2)C1)c1cc(OC)c(O)cc1
SMART[#6]OC1=C(O)C=CC(=C1)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2C1=CC(O[#6])=C(O)C=C1
CAS No.487-36-5
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C103298
HIT   C0090
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, Ambinter, ZINC, 
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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