NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundCarnosol
NPACT-IdNPACT00393
IUPAC(2S)-4-[(13R)-13-[(2R,5S)-5-[(2S,5S)-5-[(1S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one
Synonyms-
PubChem Id442009
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNFKB1 | NOS2 |   All | 
Properties Physical   Elemental  Topological
InChi KeyXUSYGBPHQBWGAD-PJSUUKDQSA-N
InChi1S/C20H26O4/c1-10(2)11-8-12-13-9-14-19(3,4)6-5-7-20(14,18(23)24-13)15(12)17(22)16(11)21/h8,10,13-14,21-22H,5-7,9H2,1-4H3/t13-,14-,20+/m0/s1
SMILESO1[C@H]2C[C@@H]3[C@](CCCC3(C)C)(c3c2cc(c(O)c3O)C(C)C)C1=O
SMART[H]OC1=C(O[H])C2=C(C([H])=C1[C@@]([H])(C([H])([H])[H])C([H])([H])[H])[C@@]1([H])OC(=O)[C@@]22C([H])([H])C([H])([H])C([H])([H])[C@@](C([H])([H])[H])(C([H])([H])[H])[C@]2([H])C1([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   005957802
CTD   C068623
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, IS Chemical Technology, MolPort, ZINC, 
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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