CHEBI:195254 - orobanchol

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ChEBI Name orobanchol
ChEBI ID CHEBI:195254
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Elisabeth COUDERT
Supplier Information
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Formula C19H22O6
Net Charge 0
Average Mass 346.379
Monoisotopic Mass 346.14164
InChI InChI=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
InChIKey CDBBMEYPRMUMTR-KIKJJFSISA-N
SMILES [H][C@@]12OC(=O)\C(=C\O[C@@H]3OC(=O)C(C)=C3)[C@]1([H])[C@@H](O)C1=C2C(C)(C)CCC1
Metabolite of Species Details
Prunus persica (NCBI:txid3760) Found in Root (BTO:0001188). See: PubMed
Nicotiana tabacum (NCBI:txid4097) Found in Root (BTO:0001188). See: PubMed
Roles Classification
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.
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.
(via strigolactone )
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ChEBI Ontology
Outgoing 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
Synonym Source
orobanchol UniProt
Manual Xref Database
C00037587 KNApSAcK
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Registry Number Type Source
220493-65-2 CAS Registry Number KNApSAcK
Citations Waiting for Citations Types Sources
17260144 PubMed citation Europe PMC
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Last Modified
04 July 2023