NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundMosinone A
NPACT-IdNPACT00782
IUPAC(5R)-5-[(11R)-11-hydroxy-11-[(2R,5R)-5-[(Z,1R)-1-hydroxypentadec-4-enyl]oxolan-2-yl]-5-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one
Synonyms(2,4-cis/trans)-mosinone
PubChem Id44559057
ClassPolyketides
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsNOX1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyMEZMFFSHBLPWKU-KFZCCCQFSA-N
InChi1S/C37H64O7/c1-3-4-5-6-7-8-9-10-11-12-13-16-23-33(40)35-25-26-36(44-35)34(41)24-17-14-15-20-31(39)21-18-19-22-32-28-30(27-29(2)38)37(42)43-32/h12-13,30,32-36,40-41H,3-11,14-28H2,1-2H3/b13-12-/t30?,32-,33-,34-,35-,36-/m1/s1
SMILESO1[C@H](CC[C@@H]1[C@H](O)CC/C=CCCCCCCCCCC)[C@H](O)CCCCCC(=O)CCCC[C@H]1OC(=O)[C@@H](C1)CC(=O)C
SMART[#6]CCCCCCCCCC=C/CC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCC(=O)CCCC[C@@H]1C[C@@H](CC([#6])=O)C(=O)O1
CAS No.191800-47-2
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C107771
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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