EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:63924 - riddelliine

ChEBI IDCHEBI:63924
ChEBI Nameriddelliine
Stars
DefinitionA macrodiolide that is 13,19-didehydrosenecionan bearing two additional hydroxy substituents at positions 12 and 18 as well as two additional oxo groups at positions 11 and 16.
Last Modified2 December 2019
SubmitterSteve
DownloadsMolfile
FormulaC18H23NO6
Net Charge0
Average Mass349.383
Monoisotopic Mass349.15254
SMILES[H][C@]12C3=CCN1CC[C@H]2OC(=O)/C(=C\C)CC(=C)[C@](O)(CO)C(=O)OC3
InChIInChI=1S/C18H23NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,14-15,20,23H,2,5-10H2,1H3/b12-3-/t14-,15-,18-/m1/s1
InChIKeySVCNNZDUGWLODJ-RAYFHMIRSA-N
Wikipedia
Roles Classification
Biological Roles:
genotoxin  A role played by a chemical compound to induce direct or indirect DNA damage. Such damage can potentially lead to the formation of a malignant tumour, but DNA damage does not lead inevitably to the creation of cancerous cells.
mutagen  An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.
carcinogenic agent  A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
riddelliine (CHEBI:63924) has functional parent senecionan (CHEBI:36330)
riddelliine (CHEBI:63924) has role carcinogenic agent (CHEBI:50903)
riddelliine (CHEBI:63924) has role genotoxin (CHEBI:50902)
riddelliine (CHEBI:63924) has role mutagen (CHEBI:25435)
riddelliine (CHEBI:63924) is a macrodiolide (CHEBI:145556)
riddelliine (CHEBI:63924) is a olefinic compound (CHEBI:78840)
riddelliine (CHEBI:63924) is a organic heterotricyclic compound (CHEBI:26979)
riddelliine (CHEBI:63924) is a pyrrolizine alkaloid (CHEBI:38521)
Incoming Relation(s)
riddelliine N-oxide (CHEBI:136421) has functional parent riddelliine (CHEBI:63924)
IUPAC Name 
(15Z)-12,18-dihydroxy-13,19-didehydrosenecionan-11,16-dione
Synonyms  Source
RiddeliinChemIDplus
RiddellineChemIDplus
RiddeliineChemIDplus
18-HydroxyseneciphyllineKEGG COMPOUND
Manual XrefsDatabases
RiddelliineWikipedia
C00002110KNApSAcK
C10375KEGG COMPOUND
Registry NumbersSources
Reaxys:1042830Reaxys
CAS:23246-96-0ChemIDplus
CAS:23246-96-0NIST Chemistry WebBook
CAS:23246-96-0KEGG COMPOUND
Citations