NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound3-o-(cis-p-coumaroyl)-alphitolic acid
NPACT-IdNPACT01082
IUPAC-
Synonyms(11aR)-10-hydroxy-9-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-5a,5b,8,8,11a,13a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
PubChem Id5316118
ClassTerpenoids
In-vitro anticancer activtiy 6 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyRNFUOEDBPUVMOC-FDLIQPMOSA-N
InChi1S/C40H56O6/c1-24(2)27-15-20-40(34(44)45)22-21-39(8)37(6)18-16-29-35(3,4)33(46-31(43)14-11-25-9-12-26(41)13-10-25)28(42)23-36(29,5)30(37)17-19-38(39,7)32(27)40/h9-14,27-30,32-33,41-42H,1,15-23H2,2-8H3,(H,44,45)/b14-11-/t27?,28?,29?,30?,32?,33?,36-,37?,38?
SMILESO(C1C(C2[C@@](C3C(C4(C(C5C(CC4)(CCC5C(=C)C)C(=O)O)(CC3)C)C)(CC2)C)(CC1O)C)(C)C)C(=O)/C=Cc1ccc(O)cc1
SMART[H]OC(=O)[C@]12C([H])([H])C([H])([H])[C@@]([H])(C(=C([H])[H])C([H])([H])[H])[C@]1([H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@@]4(C([H])([H])[H])C([H])([H])[C@@]([H])(O[H])[C@]([H])(OC(=O)C([H])=C([H])C5=C([H])C([H])=C(O[H])C([H])=C5[H])[C@@](C([H])([H])[H])(C([H])([H])[H])[C@]4([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@]1(C([H])([H])[H])C([H])([H])C2([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
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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