NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound1-O-formyl-4'-demethoxy-3',4'-methylenedioxy-methyl rocaglate
NPACT-IdNPACT00057
IUPACmethyl(3S,3aR,8bS)-3a-(1,3-benzodioxol-5-yl)-1-formyloxy-8b-hydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate
Synonyms-
PubChem Id9871790
ClassLignans
In-vitro anticancer activity 11 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyXKYRDXZNJADCQR-SSRNPCBTSA-N
InChi1S/C29H26O10/c1-33-18-12-21(34-2)25-22(13-18)39-29(17-9-10-19-20(11-17)38-15-37-19)24(16-7-5-4-6-8-16)23(27(31)35-3)26(36-14-30)28(25,29)32/h4-14,23-24,26,32H,15H2,1-3H3/t23?,24-,26?,28+,29+/m1/s1
SMILESO1[C@@]2([C@@](O)([C@@H](OC=O)[C@@H]([C@H]2c2ccccc2)C(=O)OC)c2c1cc(OC)cc2OC)c1cc2OCOc2cc1
SMART[#6]OC(=O)[C@H]1[C@H](OC=O)[C@@]2(O)C3=C(O[#6])C=C(O[#6])C=C3O[C@]2([C@@H]1C1=CC=CC=C1)C1=CC2=C(OCO2)C=C1
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   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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