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CHEBI:195254 - orobanchol

ChEBI IDCHEBI:195254
ChEBI Nameorobanchol
Stars
Last Modified4 July 2023
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC19H22O6
Net Charge0
Average Mass346.379
Monoisotopic Mass346.14164
SMILES[H][C@@]12OC(=O)/C(=C/O[C@H]3C=C(C)C(=O)O3)[C@]1([H])[C@@H](O)C1=C2C(C)(C)CCC1
InChIInChI=1S/C19H22O6/c1-9-7-12(24-17(9)21)23-8-11-13-15(20)10-5-4-6-19(2,3)14(10)16(13)25-18(11)22/h7-8,12-13,15-16,20H,4-6H2,1-3H3/b11-8+/t12-,13-,15+,16-/m1/s1
InChIKeyCDBBMEYPRMUMTR-KIKJJFSISA-N
Species of MetaboliteComponentSourceComments
Prunus persica (ncbitaxon:3760) Root (BTO:0001188) PubMed (37292030)
Nicotiana tabacum (ncbitaxon:4097) Root (BTO:0001188) PubMed (23204500)
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)
orobanchol (CHEBI:195254) has functional parent orobanchol ABC-rings (CHEBI:195257)
orobanchol (CHEBI:195254) has role plant metabolite (CHEBI:76924)
orobanchol (CHEBI:195254) is a indenofuran (CHEBI:149453)
orobanchol (CHEBI:195254) is a secondary alcohol (CHEBI:35681)
orobanchol (CHEBI:195254) is a strigolactone (CHEBI:68487)
IUPAC Name 
(3E,3aR,4R,8bR)-4-hydroxy-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
UniProt Name  Source
orobancholUniProt
Manual XrefsDatabases
C00037587KNApSAcK
Registry NumbersSources
CAS:220493-65-2KNApSAcK
Citations