CHEBI:70074 - Dihydrocorynantheine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Dihydrocorynantheine
ChEBI ID CHEBI:70074
Definition A natural product found in Uncaria macrophylla.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C22H28N2O3
Net Charge 0
Average Mass 368.46930
Monoisotopic Mass 368.210
InChI InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/b18-13+/t14-,17-,20-/m0/s1
InChIKey NMLUOJBSAYAYEM-XPOGPMDLSA-N
SMILES [H][C@@]1(C[C@]2([H])N(CCc3c2[nH]c2ccccc32)C[C@@H]1CC)C(=C/OC)\C(=O)OC
Metabolite of Species Details
Uncaria macrophylla (NCBI:txid714513) Found in aerial part (BTO:0001658). Emulsion layer of methanolic extract of dried and powdered aerial parts See: PubMed
Roles Classification
Biological Role(s): 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 Dihydrocorynantheine (CHEBI:70074) has role metabolite (CHEBI:25212)
Dihydrocorynantheine (CHEBI:70074) is a alkaloid (CHEBI:22315)
Synonyms Sources
18,19-Dihydrocorynantheine KEGG COMPOUND
hirsutine ChEBI
methyl(E)-2-[(2S,3R,12bS)-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate ChEBI
Manual Xrefs Databases
0050439684 ChemIDplus
C16953 KEGG COMPOUND
C16972 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
50439-68-4 CAS Registry Number KEGG COMPOUND
7729-23-9 CAS Registry Number KEGG COMPOUND
Citation Waiting for Citations Type Source
21070010 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:beta-carbolines(CHEBI:60834); ISA:quinolizines(CHEBI:38063); ISA:indoles(CHEBI:24828); ISA:aralkylamine(CHEBI:18000); ISA:piperidines(CHEBI:26151); ISA:benzenoid aromatic compound(CHEBI:33836); ISA:enoate ester(CHEBI:51702); ISA:carboxylic ester(CHEBI:33308); ISA:pyrroles(CHEBI:26455); ISA:tertiary amine(CHEBI:32876); ISA:monocarboxylic acid(CHEBI:25384); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586);