NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound6'-Hydroxyyatein
NPACT-IdNPACT00190
IUPAC(3R,4R)-4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
Synonyms-
PubChem Id10093337
ClassLignans
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyLDENFUOBLMHVHK-LSDHHAIUSA-N
InChi1S/C22H24O8/c1-25-19-5-12(6-20(26-2)21(19)27-3)4-15-14(10-28-22(15)24)7-13-8-17-18(9-16(13)23)30-11-29-17/h5-6,8-9,14-15,23H,4,7,10-11H2,1-3H3/t14-,15+/m0/s1
SMILESO1C[C@@H]([C@@H](Cc2cc(OC)c(OC)c(OC)c2)C1=O)Cc1cc2OCOc2cc1O
SMART[#6]OC1=CC(C[C@@H]2[C@@H](CC3=CC4=C(OCO4)C=C3O)COC2=O)=CC(O[#6])=C1O[#6]
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   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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