NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compoundeurylene
NPACT-IdNPACT01203
IUPAC-
Synonyms[(1S,4R)-4-acetyloxy-1-[(2R,5R)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]-4-[(2S,5R)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]butyl] acetate;2,5-Furandimethanol, alpha2,alpha2'-1,2-ethanediylbis(tetrahydro-alpha5,2-dimethyl-alpha5-(4-methyl-3-pentenyl)-,alpha2,alpha2'-diacetate, (alpha2R,alpha2'S,alpha5S,alpha5'S,2S,2'R,5R,5'R)-;;
PubChem Id179304
ClassTerpenoids
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyUEWPQEARKYIFFJ-ANMVGWMBSA-N
InChi1S/C34H58O8/c1-23(2)13-11-19-31(7,37)27-17-21-33(9,41-27)29(39-25(5)35)15-16-30(40-26(6)36)34(10)22-18-28(42-34)32(8,38)20-12-14-24(3)4/h13-14,27-30,37-38H,11-12,15-22H2,1-10H3/t27-,28-,29-,30+,31+,32+,33+,34-/m1/s1
SMILESO1[C@@]([C@@H](OC(=O)C)CC[C@@H](OC(=O)C)[C@]2(O[C@H](CC2)[C@@](O)(CCC=C(C)C)C)C)(CC[C@@H]1[C@@](O)(CCC=C(C)C)C)C
SMART[H]O[C@@](C([H])([H])[H])(C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@]1([H])O[C@@](C([H])([H])[H])(C([H])([H])C1([H])[H])[C@]([H])(OC(=O)C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@@]1(O[C@]([H])(C([H])([H])C1([H])[H])[C@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CAS No.134856-96-5
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C493363
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
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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