CHEBI:5762 - hordatine A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name hordatine A
ChEBI ID CHEBI:5762
Definition A member of the calss of benzofurans that is a homodimer of para-coumarylagmatine where a hydroxy group of one molecule has reacted across the other molecule's ethene double bond to combine the two molecules and form a furan ring.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C28H38N8O4
Net Charge 0
Average Mass 550.65250
Monoisotopic Mass 550.30160
InChI InChI=1S/C28H38N8O4/c29-27(30)35-15-3-1-13-33-23(38)12-6-18-5-11-22-21(17-18)24(25(40-22)19-7-9-20(37)10-8-19)26(39)34-14-2-4-16-36-28(31)32/h5-12,17,24-25,37H,1-4,13-16H2,(H,33,38)(H,34,39)(H4,29,30,35)(H4,31,32,36)/b12-6+/t24-,25+/m0/s1
InChIKey KVYNYRIOAYQBFK-AIIPJEMGSA-N
SMILES NC(=N)NCCCCNC(=O)\C=C\c1ccc2O[C@@H]([C@@H](C(=O)NCCCCNC(N)=N)c2c1)c1ccc(O)cc1
Roles Classification
Biological Role(s): adrenergic antagonist
An agent that binds to but does not activate adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): adrenergic antagonist
An agent that binds to but does not activate adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing hordatine A (CHEBI:5762) has functional parent p-coumaroylagmatine (CHEBI:32818)
hordatine A (CHEBI:5762) has role adrenergic antagonist (CHEBI:37887)
hordatine A (CHEBI:5762) has role metabolite (CHEBI:25212)
hordatine A (CHEBI:5762) is a aromatic ether (CHEBI:35618)
hordatine A (CHEBI:5762) is a benzofurans (CHEBI:35259)
hordatine A (CHEBI:5762) is a dicarboxylic acid diamide (CHEBI:35779)
hordatine A (CHEBI:5762) is a guanidines (CHEBI:24436)
hordatine A (CHEBI:5762) is a phenols (CHEBI:33853)
IUPAC Name
(2S,3S)-N-(4-carbamimidamidobutyl)-5-{(1E)-3-[(4-carbamimidamidobutyl)amino]-3-oxoprop-1-en-1-yl}-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
Manual Xrefs Databases
C00001415 KNApSAcK
C08307 KEGG COMPOUND
HMDB0030461 HMDB
View more database links
Registry Number Type Source
7073-64-5 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
17331173 PubMed citation Europe PMC
19762239 PubMed citation Europe PMC
Last Modified
04 August 2014