NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundArnidiol
NPACT-IdNPACT00278
IUPAC2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,6,8-tris(3-methylbut-2-enyl)chromen-4-one
Synonyms(3S,4aR,6aR,6bR,8S,8aS,12S,12aS,12bR,14bR)-4,4,6a,6b,8a,12,14b-Heptamethyl-11-methylene-docosahydro-picene-3,8-diol
PubChem Id470259
ClassTerpenoids
In-vitro anticancer activity 54 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyIOPDFSGGBHSXSV-MIISSIQISA-N
InChi1S/C30H50O2/c1-18-11-14-28(6)24(32)17-30(8)20(25(28)19(18)2)9-10-22-27(5)15-13-23(31)26(3,4)21(27)12-16-29(22,30)7/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20-,21+,22?,23+,24+,25+,27+,28-,29-,30-/m1/s1
SMILESO[C@@H]1[C@@]2([C@H]([C@@H]3[C@]([C@]4([C@@H]([C@@]5([C@@H](CC4)C([C@@H](O)CC5)(C)C)C)CC3)C)(C1)C)[C@@H](C(=C)CC2)C)C
SMART[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@]2([H])C([H])([H])C([H])([H])[C@]2([H])[C@]4([H])[C@@]([H])(C(=C(/[H])[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[C@@]32C([H])([H])[H])C([H])([H])[H])[C@]1(C([H])([H])[H])C([H])([H])[H]
CAS No.6750-30-7
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, Kingston Chemistry, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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