NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound6-hydroxy-3-methoxytremetone
NPACT-IdNPACT00188
IUPAC1-[(2S,3R)-6-hydroxy-3-methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl]ethanone
Synonyms-
PubChem Id15281118
ClassBenzofuranoids
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyPHYSEYYYFQMJGP-UONOGXRCSA-N
InChi1S/C14H16O4/c1-7(2)13-14(17-4)10-5-9(8(3)15)11(16)6-12(10)18-13/h5-6,13-14,16H,1H2,2-4H3/t13-,14+/m0/s1
SMILESO1[C@H]([C@H](OC)c2c1cc(O)c(c2)C(=O)C)C(=C)C
SMART[#6]O[C@H]1[C@@H](OC2=CC(O)=C(C=C12)C([#6])=O)C([#6])=C
CAS No.-
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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