NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound(1S,5S,6R,7S,10R)-1-Hydroxy-4-methoxy-5-methylbutanoyloxy-2,9-dioxoxanth-11-en-6,12-olide
NPACT-IdNPACT01460
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activtiy 4 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyJAAHNMMVUXTONO-QNQBXXEZSA-N
InChi1S/C21H32O7/c1-7-11(2)19(23)28-18-17-15(14(5)20(24)27-17)9-8-12(3)21(18,25)16(22)10-13(4)26-6/h11-13,15,17-18,25H,5,7-10H2,1-4,6H3/t11?,12-,13?,15?,17+,18-,21?/m0/s1
SMILES[C@H]1(C([C@H]([C@H]2C(C[CH]1)C(=C)C(=O)O2)OC(=O)C(CC)C)(O)C(=O)CC(C)OC)C
SMART[H]C1CC2[C@@H](OC(=O)C2=C)[C@H](OC(=O)C([#6])C[#6])C(O)([C@H]1[#6])C(=O)CC([#6])O[#6]
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   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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