CHEBI:132334 - wilforgine

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ChEBI Name wilforgine
ChEBI ID CHEBI:132334
Definition A dihydroagarofuran sesquiterpenoid and pyridine alkaloid with formula C41H47NO19 originally isolated from the roots of Tripterygium wilfordii.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
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Formula C41H47NO19
Net Charge 0
Average Mass 857.809
Monoisotopic Mass 857.27423
InChI InChI=1S/C41H47NO19/c1-19-11-12-27-26(10-9-14-42-27)37(50)54-17-38(7)28-29(55-21(3)44)33(57-23(5)46)40(18-53-20(2)43)34(58-24(6)47)30(59-36(49)25-13-15-52-16-25)32(60-35(19)48)39(8,51)41(40,61-38)31(28)56-22(4)45/h9-10,13-16,19,28-34,51H,11-12,17-18H2,1-8H3/t19-,28+,29+,30-,31+,32-,33+,34-,38-,39-,40+,41-/m0/s1
InChIKey QFIYSPKZWOALMZ-GTVWHPQGSA-N
SMILES [C@@]12([C@@H]([C@@H]([C@@]3([C@H]([C@]14[C@]([C@H]([C@@H]([C@@H]2OC(=O)C)OC(=O)C5=COC=C5)OC([C@H](CCC6=NC=CC=C6C(OC[C@@]3(O4)C)=O)C)=O)(O)C)OC(C)=O)[H])OC(C)=O)OC(=O)C)COC(C)=O
Metabolite of Species Details
Tripterygium hypoglaucum (NCBI:txid205465) Found in root (BTO:0001188). See: PubMed
Tripterygium wilfordii (NCBI:txid458696) Found in root (BTO:0001188). See: PubMed
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 wilforgine (CHEBI:132334) has role plant metabolite (CHEBI:76924)
wilforgine (CHEBI:132334) is a acetate ester (CHEBI:47622)
wilforgine (CHEBI:132334) is a dihydroagarofuran sesquiterpenoid (CHEBI:71548)
wilforgine (CHEBI:132334) is a furans (CHEBI:24129)
wilforgine (CHEBI:132334) is a macrocyclic lactone (CHEBI:63944)
wilforgine (CHEBI:132334) is a organic heteropentacyclic compound (CHEBI:38164)
wilforgine (CHEBI:132334) is a pyridine alkaloid (CHEBI:26416)
IUPAC Name
((1S,3R,15S,18S,19R,20R,21R,22S,23R,24R,25R,26S))-20,22,23,25-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7,9,11-trien-19-yl furan-3-carboxylate
Synonyms Sources
(8alpha)-8-(Acetyloxy)-O2-deacetyl-8-deoxo-O2-(3-furanylcarbonyl)evonimine KNApSAcK
Wilforgin KNApSAcK
Manual Xrefs Databases
124030 PubChem
C00013192 KNApSAcK
FR2728466 Patent
WO9113627 Patent
View more database links
Registry Numbers Types Sources
37239-47-7 CAS Registry Number ChemIDplus
78231 Beilstein Registry Number ChemIDplus
8182777 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12579958 PubMed citation Europe PMC
17623366 PubMed citation Europe PMC
18976997 PubMed citation Europe PMC
21982911 PubMed citation Europe PMC
23252270 PubMed citation Europe PMC
23943048 PubMed citation Europe PMC
25244757 PubMed citation Europe PMC
25523369 PubMed citation Europe PMC
25582490 PubMed citation Europe PMC
25855315 PubMed citation Europe PMC
27649810 PubMed citation Europe PMC
642181 Chinese Abstracts citation Europe PMC
Last Modified
19 October 2016