NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound27-hydroxybullatacin
NPACT-IdNPACT00087
IUPAC(2S)-4-[(2R,13R)-13-[(2R,5R)-5-[(2R,5R)-5-[(1S,4S)-1,4-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-2,13-dihydroxytridecyl]-2-methyl-2H-furan-5-one
Synonyms-
PubChem Id10722779
ClassPolyketides
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyAJWQQZIFWOFRRM-MKQHPUIBSA-N
InChi1S/C37H66O8/c1-3-4-5-10-13-16-29(38)19-20-32(41)34-22-24-36(45-34)35-23-21-33(44-35)31(40)18-15-12-9-7-6-8-11-14-17-30(39)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3/t27-,29-,30+,31+,32-,33+,34+,35+,36+/m0/s1
SMILESO1[C@@H]([C@@H]2O[C@H](CC2)[C@H](O)CCCCCCCCCC[C@@H](O)CC2=C[C@@H](OC2=O)C)CC[C@@H]1[C@@H](O)CC[C@@H](O)CCCCCCC
SMART[H]O[C@@]([H])(C([H])([H])C1=C([H])[C@@]([H])(OC1=O)C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(O[H])[C@]1([H])O[C@]([H])(C([H])([H])C1([H])[H])[C@]1([H])O[C@]([H])(C([H])([H])C1([H])[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C120730
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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