NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundMajidine
NPACT-IdNPACT00742
IUPAC9-(1,3-benzodioxol-5-yl)-4-[(2S,3R,4R)-4-hydroxy-4-(hydroxymethyl)-3-[(2R,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxolan-2-yl]oxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one
Synonyms-
PubChem Id10484309
ClassLignans
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyHBUCXSOGVZJQHH-RMTLSDLPSA-N
InChi1S/C31H32O15/c1-38-19-6-14-15(7-20(19)39-2)26(16-8-40-28(36)23(16)22(14)13-3-4-18-21(5-13)44-12-43-18)45-30-27(31(37,10-32)11-42-30)46-29-25(35)24(34)17(33)9-41-29/h3-7,17,24-25,27,29-30,32-35,37H,8-12H2,1-2H3/t17-,24-,25+,27+,29-,30+,31-/m1/s1
SMILESO([C@@H]1[C@](O)(CO[C@H]1Oc1c2c(c(c3c1cc(OC)c(OC)c3)c1cc3OCOc3cc1)C(=O)OC2)CO)[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
SMART[#6]OC1=C(O[#6])C=C2C(=C1)C(O[C@@H]1OC[C@](O)(CO)[C@H]1O[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O)=C1COC(=O)C1=C2C1=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   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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