NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundGarcinialiptone D
NPACT-IdNPACT00598
IUPAC(1S,5S,7R)-5-(3,4-dihydroxybenzoyl)-2-hydroxy-6,6-dimethyl-1,3-bis(3-methylbut-2-enyl)-7-[(2R)-5-methyl-2-prop-1-en-2-ylhex-5-enyl]bicyclo[3.3.1]non-2-ene-4,9-dione
Synonyms-
PubChem Id46209780
ClassSimple aromatic natural products
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyBZLTYFKCXDZVOR-YPSKTYFSSA-N
InChi1S/C38H50O6/c1-22(2)11-13-26(25(7)8)19-28-21-37(18-17-24(5)6)33(42)29(15-12-23(3)4)34(43)38(35(37)44,36(28,9)10)32(41)27-14-16-30(39)31(40)20-27/h12,14,16-17,20,26,28,39-40,42H,1,7,11,13,15,18-19,21H2,2-6,8-10H3/t26-,28-,37+,38-/m1/s1
SMILESO=C1[C@@]2(C([C@@H](C[C@]1(C(=C(C2=O)CC=C(C)C)O)CC=C(C)C)C[C@@H](CCC(=C)C)C(=C)C)(C)C)C(=O)c1cc(O)c(O)cc1
SMART[#6]C([#6])=CCC1=C(O)[C@]2(CC=C([#6])[#6])C[C@@H](C[C@@H](CCC([#6])=C)C([#6])=C)[C@@]([#6])([#6])[C@](C(=O)C3=CC(O)=C(O)C=C3)(C1=O)C2=O
CAS No.-
Structure
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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

 






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