NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound1-alpha-(alpha-Methyl0-butanoyl-2-alpha-(alpha-methyl)-propynoyloxy-4-beta-hydroxy-9-beta-(beta-)furoyloxy-15-acetoxy-beta-dihydroagarofuran
NPACT-IdNPACT01465
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyNDQUXJOAVAMALR-SAWIINASSA-N
InChi1S/C31H44O11/c1-9-18(4)26(34)41-24-22(39-25(33)17(2)3)14-29(8,36)31-13-21(28(6,7)42-31)12-23(30(24,31)16-38-19(5)32)40-27(35)20-10-11-37-15-20/h10-11,15,17-18,21-24,36H,9,12-14,16H2,1-8H3/t18?,21-,22+,23+,24+,29+,30-,31+/m1/s1
SMILES[C@@H]1([C@H]([CH][C@@]([C@]23[C@@]1([C@H](C[C@H]([CH]2)C(O3)(C)C)OC(=O)c1cocc1)COC(=O)C)(O)C)OC(=O)C(C)C)OC(=O)C(CC)C
SMART[H]C1[C@H]2C[C@H](OC(=O)C3=COC=C3)[C@]3(COC([#6])=O)[C@@H](OC(=O)C([#6])C[#6])[C@@H](OC(=O)C([#6])[#6])C([H])[C@]([#6])(O)[C@@]13O[C@@]2([#6])[#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   No
Ghose filter   No
Veber filter   No
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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