NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundMuricoreacin
NPACT-IdNPACT00787
IUPAC(2S)-2-methyl-4-[(2R,6S,8S)-2,6,8-trihydroxy-9-[(2S,5S)-5-[(1S,4S,5R)-1,4,5-trihydroxyheptadecyl]oxolan-2-yl]nonyl]-2H-furan-5-one
Synonyms-
PubChem Id44559047
ClassPolyketides
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyFIANNMWSDAAICQ-RXOCPTGUSA-N
InChi1S/C35H64O9/c1-3-4-5-6-7-8-9-10-11-12-16-31(39)32(40)18-19-33(41)34-20-17-30(44-34)24-29(38)23-28(37)15-13-14-27(36)22-26-21-25(2)43-35(26)42/h21,25,27-34,36-41H,3-20,22-24H2,1-2H3/t25-,27+,28-,29-,30-,31+,32-,33-,34-/m0/s1
SMILESO1[C@@H](CC[C@H]1C[C@@H](O)C[C@@H](O)CCC[C@@H](O)CC1=C[C@@H](OC1=O)C)[C@@H](O)CC[C@H](O)[C@H](O)CCCCCCCCCCCC
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])(O[H])C([H])([H])[C@]([H])(O[H])C([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])(O[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])([H])C([H])([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C114846
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

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.