CHEBI:81466 - 5-deoxystrigol

ChEBI IDCHEBI:81466
ChEBI Name5-deoxystrigol
Stars
DefinitionAn indenofuran in which the hydroxy group of the 5-deoxystrigol ABC-rings in substituted by a [(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy group.
Last Modified31 January 2024
DownloadsMolfile
FormulaC19H22O5
Net Charge0
Average Mass330.380
Monoisotopic Mass330.14672
SMILES[H][C@]12OC(=O)/C(=C/O[C@H]3C=C(C)C(=O)O3)[C@@]1([H])CC1=C2C(C)(C)CCC1
InChIInChI=1S/C19H22O5/c1-10-7-14(23-17(10)20)22-9-13-12-8-11-5-4-6-19(2,3)15(11)16(12)24-18(13)21/h7,9,12,14,16H,4-6,8H2,1-3H3/b13-9+/t12-,14-,16+/m1/s1
InChIKeyQXTUQXRFEBHUBA-DYLOANJQSA-N
Species of MetaboliteComponentSourceComments
Lotus japonicus (ncbitaxon:34305) Root (BTO:0001188) PubMed (17655890)
Solanum lycopersicum (ncbitaxon:4081) Root (BTO:0001188) PubMed (30280444)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
plant hormone  A plant growth regulator that modulates the formation of stems, leaves and flowers, as well as the development and ripening of fruit. The term includes endogenous and non-endogenous compounds (e.g. active compounds produced by bacteria on the leaf surface) as well as semi-synthetic and fully synthetic compounds.
ChEBI Ontology
Outgoing Relation(s)
5-deoxystrigol (CHEBI:81466) has functional parent 5-deoxystrigol ABC-rings (CHEBI:81465)
5-deoxystrigol (CHEBI:81466) has role plant metabolite (CHEBI:76924)
5-deoxystrigol (CHEBI:81466) is a indenofuran (CHEBI:149453)
5-deoxystrigol (CHEBI:81466) is a strigolactone (CHEBI:68487)
IUPAC Name 
(3E,3aR,8bS)-8,8-dimethyl-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,5,6,7,8,8b-octahydro-2H-indeno[1,2-b]furan-2-one
Synonym  Source
(+)-5-deoxystrigolChEBI
UniProt Name  Source
5-deoxystrigolUniProt
Manual XrefsDatabases
C18037KEGG COMPOUND
C00033500KNApSAcK
CPD-14652MetaCyc
Registry NumbersSources
CAS:151716-18-6KNApSAcK
Citations