NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundMorelensin
NPACT-IdNPACT00776
IUPAC(5R,5aR,8aR)-5-(3,4-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
Synonyms5'-Demethoxydeoxypodophyllotoxin
PubChem Id320372
ClassLignans
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyMKWAWTRNIPHOLB-SVIJTADQSA-N
InChi1S/C21H20O6/c1-23-15-4-3-11(6-16(15)24-2)19-14-8-18-17(26-10-27-18)7-12(14)5-13-9-25-21(22)20(13)19/h3-4,6-8,13,19-20H,5,9-10H2,1-2H3/t13-,19+,20-/m0/s1
SMILESO1C[C@H]2[C@@H]([C@@H](c3c(C2)cc2OCOc2c3)c2cc(OC)c(OC)cc2)C1=O
SMART[#6]OC1=C(O[#6])C=C(C=C1)[C@H]1[C@@H]2[C@H](COC2=O)CC2=CC3=C(OCO3)C=C12
CAS No.63700-40-3
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C499777
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
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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