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CHEBI:78274 - ferruginol

ChEBI IDCHEBI:78274
ChEBI Nameferruginol
Stars
DefinitionAn abietane diterpenoid that is abieta-8,11,13-triene substituted by a hydroxy group at positions 12.
Secondary ChEBI IDCHEBI:5045
Last Modified8 November 2017
SubmitterKAX
DownloadsMolfile
FormulaC20H30O
Net Charge0
Average Mass286.459
Monoisotopic Mass286.22967
SMILES[H][C@@]12CCc3cc(C(C)C)c(O)cc3[C@@]1(C)CCCC2(C)C
InChIInChI=1S/C20H30O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h11-13,18,21H,6-10H2,1-5H3/t18-,20+/m0/s1
InChIKeyQXNWVJOHUAQHLM-AZUAARDMSA-N
Wikipedia
Roles Classification
Biological Roles:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
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.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
protective agent  Synthetic or natural substance which is given to prevent a disease or disorder or are used in the process of treating a disease or injury due to a poisonous agent.
ChEBI Ontology
Outgoing Relation(s)
ferruginol (CHEBI:78274) has role antibacterial agent (CHEBI:33282)
ferruginol (CHEBI:78274) has role antineoplastic agent (CHEBI:35610)
ferruginol (CHEBI:78274) has role plant metabolite (CHEBI:76924)
ferruginol (CHEBI:78274) has role protective agent (CHEBI:50267)
ferruginol (CHEBI:78274) is a abietane diterpenoid (CHEBI:36762)
ferruginol (CHEBI:78274) is a carbotricyclic compound (CHEBI:38032)
ferruginol (CHEBI:78274) is a meroterpenoid (CHEBI:64419)
ferruginol (CHEBI:78274) is a phenols (CHEBI:33853)
Incoming Relation(s)
11-hydroxyferruginol (CHEBI:138942) has functional parent ferruginol (CHEBI:78274)
11-hydroxysugiol (CHEBI:138962) has functional parent ferruginol (CHEBI:78274)
11,20-dihydroxyferruginol (CHEBI:138965) has functional parent ferruginol (CHEBI:78274)
11,20-dihydroxysugiol (CHEBI:138963) has functional parent ferruginol (CHEBI:78274)
6β-hydroxyferruginol (CHEBI:70577) has functional parent ferruginol (CHEBI:78274)
salviol (CHEBI:138944) has functional parent ferruginol (CHEBI:78274)
sugiol (CHEBI:138961) has functional parent ferruginol (CHEBI:78274)
IUPAC Name 
abieta-8,11,13-trien-12-ol
Synonyms  Source
8,11,13-abietatrien-12-olChEBI
12-hydroxyabieta-8,11,13-trieneChEBI
UniProt Name  Source
ferruginolUniProt
Manual XrefsDatabases
C09092KEGG COMPOUND
CPD-16534MetaCyc
FerruginolWikipedia
C00003426KNApSAcK
Registry NumbersSources
Reaxys:5275000Reaxys
CAS:514-62-5KEGG COMPOUND
Citations