NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound(4R,6R)-dihydroxy-4-[10(Z)-heptadecenyl]-2-cyclohexenone
NPACT-IdNPACT00020
IUPAC(4R,6S)-4-[(Z)-heptadec-10-enyl]-4,6-dihydroxycyclohex-2-en-1-one
Synonyms-
PubChem Id10021708
ClassSimple aromatic natural products
In-vitro anticancer activity 5 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyQGMORWLDWJPVQC-CHXUTICSSA-N
InChi1S/C23H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23(26)19-17-21(24)22(25)20-23/h7-8,17,19,22,25-26H,2-6,9-16,18,20H2,1H3/b8-7-/t22-,23-/m0/s1
SMILESO[C@]1(CCCCCCCCC/C=CCCCCCC)C[C@H](O)C(=O)C=C1
SMART[H]O[C@]1([H])C(=O)C([H])=C([H])[C@@](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])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C1([H])[H]
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   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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