CHEBI:132667 - pseudobrucine

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ChEBI Name pseudobrucine
Definition A monoterpenoid indole alkaloid that is brucine in which the hydrogen at position 16 has been replaced by a hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
Download Molfile XML SDF
Formula C23H26N2O5
Net Charge 0
Average Mass 410.464
Monoisotopic Mass 410.18417
InChI InChI=1S/C23H26N2O5/c1-28-16-7-14-15(8-17(16)29-2)25-19(26)9-18-20-13-10-23(27)22(14,21(20)25)4-5-24(23)11-12(13)3-6-30-18/h3,7-8,13,18,20-21,27H,4-6,9-11H2,1-2H3/t13-,18-,20-,21-,22-,23+/m0/s1
SMILES C1[C@@]2(N3CC[C@@]42[C@]5(N(C=6C4=CC(=C(C6)OC)OC)C(C[C@]7([C@@]5([C@@]1(C(=CCO7)C3)[H])[H])[H])=O)[H])O
Metabolite of Species Details
Strychnos nux-vomica (NCBI:txid28545) Found in seed (BTO:0001226). See: PubMed
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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.
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
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 pseudobrucine (CHEBI:132667) has functional parent brucine (CHEBI:3193)
pseudobrucine (CHEBI:132667) has role human xenobiotic metabolite (CHEBI:76967)
pseudobrucine (CHEBI:132667) has role plant metabolite (CHEBI:76924)
pseudobrucine (CHEBI:132667) is a δ-lactam (CHEBI:77727)
pseudobrucine (CHEBI:132667) is a aromatic ether (CHEBI:35618)
pseudobrucine (CHEBI:132667) is a hemiaminal (CHEBI:73080)
pseudobrucine (CHEBI:132667) is a monoterpenoid indole alkaloid (CHEBI:65323)
pseudobrucine (CHEBI:132667) is a organic heteroheptacyclic compound (CHEBI:52157)
Synonym Source
16-Hydroxybrucine KNApSAcK
Manual Xrefs Databases
3083630 PubChem
C00025199 KNApSAcK
View more database links
Registry Numbers Types Sources
1053907 Reaxys Registry Number Reaxys
560-30-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
25594733 PubMed citation Europe PMC
8103941 PubMed citation Europe PMC
Last Modified
10 January 2017