Therapeutic Targets Database
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TTD Drug ID: DNC000417

Drug Information
NameChebulagic acid
IndicationNot AvailableExperimental    
Structure

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InChI1S/C41H30O27/c42-13-1-8(2-14(43)24(13)49)35(56)68-41-34-33-31(64-
39(60)12(6-19(47)48)22-23-11(38(59)67-34)5-17(46)27(52)32(23)65-4
0(61)30(22)55)18(63-41)7-62-36(57)9-3-15(44)25(50)28(53)20(9)21-1
0(37(58)66-33)4-16(45)26(51)29(21)54/h1-5,12,18,22,30-31,33-34,41
-46,49-55H,6-7H2,(H,47,48)/t12-,18+,22-,30-,31?,33-,34+,41-/m0/s1
InChIKeyHGJXAVROWQLCTP-VMXBZOPGSA-N
Canonical SMILESC1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C(C(C(=O)
O3)CC(=O)O)C(C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)
O)O)O)O)O    
Isomeric SMILESC1[C@@H]2C3[C@@H]([C@H]([C@@H](O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC
(=C(C6=C5[C@H]([C@@H](C(=O)O3)CC(=O)O)[C@@H](C(=O)O6)O)O)O)OC(=O)C7=CC(=
C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O
CAS NumberCAS 23094-71-5
PubChem Compound IDCID 72285.
PubChem Substance IDSID 214550.
TargetArachidonate 5-lipoxygenaseInhibitor[1]
Ref 1Chebulagic acid, a COX-LOX dual inhibitor isolated from the fruits of Terminalia chebula Retz., induces apoptosis in COLO-205 cell line. J Ethnopharmacol. 2009 Jul 30;124(3):506-12. Epub 2009 May 28. To Reference



 

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