NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound2,3-dihydroixocarpalactone B
NPACT-IdNPACT01412
IUPAC-
Synonyms-
PubChem Id10951246
ClassSteroids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyLXDDGNRTELHLEX-ATCFVWJYSA-N
InChi1S/C28H40O8/c1-12-13(2)28(36-22(12)31)23(32)26(5,33)21-17(34-28)11-16-14-10-20-27(35-20)19(30)7-6-18(29)25(27,4)15(14)8-9-24(16,21)3/h12-17,19-21,23,30,32-33H,6-11H2,1-5H3/t12-,13-,14-,15+,16+,17+,19+,20-,21?,23+,24+,25+,26-,27-,28?/m1/s1
SMILESO1[C@@]23[C@@]([C@@H]4[C@H]([C@H]5[C@@](C6[C@@H](OC7(OC(=O)[C@@H]([C@H]7C)C)[C@@H](O)[C@@]6(O)C)C5)(CC4)C)C[C@@H]12)(C(=O)CC[C@@H]3O)C
SMART[#6][C@@H]1[C@@H]([#6])C2(OC1=O)O[C@H]1C[C@H]3[C@@H]4C[C@H]5O[C@]55[C@@H](O)CCC(=O)[C@]5([#6])[C@H]4CC[C@]3([#6])C1[C@@]([#6])(O)[C@@H]2O
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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