NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound6-alpha-hydroxyneopulchellin
NPACT-IdNPACT00185
IUPAC(3aS,5aS,6S,8R,8aS,9aS)-6,8,9-trihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
Synonyms-
PubChem Id16401759
ClassTerpenoids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyCHHJAEIMNOFHLW-VDPJQQRPSA-N
InChi1S/C15H22O5/c1-6-4-9-11(7(2)14(19)20-9)13(18)15(3)10(17)5-8(16)12(6)15/h6,8-13,16-18H,2,4-5H2,1,3H3/t6?,8-,9-,10+,11+,12+,13?,15+/m0/s1
SMILESO[C@@H]1[C@]2([C@H]([C@@H](C[C@@H]3OC(=O)C(=C)[C@@H]13)C)[C@@H](O)C[C@H]2O)C
SMART[#6][C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@]2([#6])[C@H](O)C[C@H](O)[C@@H]12
CAS No.-
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers Ambinter, MolPort, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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