NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundHydroxyhypocretenolide-beta-D-glucoside-4',14"-hydroxyhypocretenoate
NPACT-IdNPACT01231
IUPAC-
Synonyms-
PubChem Id-
ClassUnknown
In-vitro anticancer activity 10 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyBCGDXBJEHCNJOP-UHFFFAOYSA-N
InChi1S/C36H44O13/c1-16-9-24(39)27-22(13-37)7-5-20(11-35(16,27)45)18(3)32(43)48-31-26(14-38)47-34(30(42)29(31)41)46-15-23-8-6-21-12-36(49-33(44)19(21)4)17(2)10-25(40)28(23)36/h9-10,20-22,26-27,29-31,34,37-38,41-42,45H,3-8,11-15H2,1-2H3
SMILESC1(=C2C(=O)C=C(C32CC(CC1)C(=C)C(=O)O3)C)COC1OC(C(C(C1O)O)OC(=O)C(=C)C1CCC(C2C(C1)(C(=CC2=O)C)O)CO)CO
SMART[#6]C1=CC(=O)C2C(CO)CCC(CC12O)C(=C)C(=O)OC1C(O)C(O)C(OCC2=C3C(=O)C=C([#6])C33CC(CC2)C(=C)C(=O)O3)OC1CO
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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