CHEBI:132395 - cangorinine E-1

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ChEBI Name cangorinine E-1
ChEBI ID CHEBI:132395
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
Download Molfile XML SDF
Formula C43H49NO18
Net Charge 0
Average Mass 867.847
Monoisotopic Mass 867.29496
InChI InChI=1S/C43H49NO18/c1-20-21(2)37(50)61-34-32(57-24(5)47)36(59-26(7)49)42(19-54-22(3)45)35(58-25(6)48)31(56-23(4)46)30-33(60-38(51)27-13-11-10-12-14-27)43(42,41(34,9)53)62-40(30,8)18-55-39(52)29-17-44-16-15-28(20)29/h10-17,20-21,30-36,53H,18-19H2,1-9H3/t20?,21?,30-,31-,32+,33-,34+,35-,36+,40+,41+,42-,43+/m1/s1
InChIKey OSRVDUIIEIKWRP-QIMXLZNVSA-N
SMILES C1(C(O[C@@]2([C@](O)([C@@]34[C@H](OC(=O)C=5C=CC=CC5)[C@@]([H])([C@H]([C@H]([C@@]3([C@@H](OC(=O)C)[C@H]2OC(C)=O)COC(=O)C)OC(=O)C)OC(C)=O)[C@@](COC(C6=C(C1C)C=CN=C6)=O)(C)O4)C)[H])=O)C
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 cangorinine E-1 (CHEBI:132395) has role plant metabolite (CHEBI:76924)
cangorinine E-1 (CHEBI:132395) is a acetate ester (CHEBI:47622)
cangorinine E-1 (CHEBI:132395) is a benzoate ester (CHEBI:36054)
cangorinine E-1 (CHEBI:132395) is a dihydroagarofuran sesquiterpenoid (CHEBI:71548)
cangorinine E-1 (CHEBI:132395) is a macrolide (CHEBI:25106)
cangorinine E-1 (CHEBI:132395) is a pyridine alkaloid (CHEBI:26416)
cangorinine E-1 (CHEBI:132395) is a sesquiterpene alkaloid (CHEBI:26657)
Synonym Source
cangorinine E-I ChEBI
Registry Number Type Source
7740635 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
17250858 PubMed citation Europe PMC
Last Modified
12 July 2016