CHEBI:132387 - wilfornine A

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ChEBI Name wilfornine A
ChEBI ID CHEBI:132387
Definition A sesquiterpene alkaloid that is isolated from Tripterygium wilfordii.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
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Formula C45H51NO20
Net Charge 0
Average Mass 925.883
Monoisotopic Mass 925.30044
InChI InChI=1S/C45H51NO20/c1-22(47)57-21-44-36(62-26(5)51)32(59-23(2)48)31-34(61-25(4)50)45(44)43(9,56)35(33(60-24(3)49)37(44)63-27(6)52)64-40(55)41(7,65-38(53)28-14-11-10-12-15-28)18-17-30-29(16-13-19-46-30)39(54)58-20-42(31,8)66-45/h10-16,19,31-37,56H,17-18,20-21H2,1-9H3/t31-,32-,33+,34-,35+,36-,37+,41?,42+,43+,44-,45+/m1/s1
InChIKey YJDNHPICMWQYIV-UJSRMDARSA-N
SMILES [C@@H]1([C@H]([C@@]2([C@@H](OC(=O)C)[C@H]([C@]3([C@](O)([C@]42[C@H](OC(=O)C)[C@]1([H])[C@@](COC(C5=C(CCC(C(O3)=O)(OC(C=6C=CC=CC6)=O)C)N=CC=C5)=O)(C)O4)C)[H])OC(C)=O)COC(=O)C)OC(=O)C)OC(C)=O
Metabolite of Species Details
Tripterygium wilfordii (NCBI:txid458696) See: J. Nat. Prod., 64, (2001), 582
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing wilfornine A (CHEBI:132387) has role plant metabolite (CHEBI:76924)
wilfornine A (CHEBI:132387) is a acetate ester (CHEBI:47622)
wilfornine A (CHEBI:132387) is a benzoate ester (CHEBI:36054)
wilfornine A (CHEBI:132387) is a dihydroagarofuran sesquiterpenoid (CHEBI:71548)
wilfornine A (CHEBI:132387) is a macrolide (CHEBI:25106)
wilfornine A (CHEBI:132387) is a pyridine alkaloid (CHEBI:26416)
wilfornine A (CHEBI:132387) is a sesquiterpene alkaloid (CHEBI:26657)
Manual Xref Database
C00046512 KNApSAcK
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Registry Numbers Types Sources
345954-00-9 CAS Registry Number KNApSAcK
8821612 Reaxys Registry Number Reaxys
Last Modified
13 July 2016