NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a a
CompoundCarnosic acid
NPACT-IdNPACT00392
IUPAC-
SynonymsSalvin
PubChem Id65126
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyQRYRORQUOLYVBU-VBKZILBWSA-N
InChi1S/C20H28O4/c1-11(2)13-10-12-6-7-14-19(3,4)8-5-9-20(14,18(23)24)15(12)17(22)16(13)21/h10-11,14,21-22H,5-9H2,1-4H3,(H,23,24)/t14-,20+/m0/s1
SMILESOC(=O)[C@@]12[C@H](C(CCC1)(C)C)CCc1c2c(O)c(O)c(c1)C(C)C
SMART[H]OC(=O)[C@@]12C3=C(O[H])C(O[H])=C(C([H])=C3C([H])([H])C([H])([H])[C@@]1([H])[C@@](C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])[H]
CAS No.3650-09-7
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C018381
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, ChemMol, Hangzhou APIChem Technology, IS Chemical Technology, MolPort, TCI (Tokyo Chemical Industry), 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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