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CHEBI:67390 - pterolinus H

ChEBI IDCHEBI:67390
ChEBI Namepterolinus H
Stars
DefinitionA cyclic ketone that is cyclohexa-2,5-dien-1-one substituted by a methoxy group at position 5, a 2-oxopropyl group at position 4, a hydroxy group at position 4 and a prop-2-en-1-yl group at position 2 which in turn is substituted by s a 3-hydroxy-4-methoxyphenyl group at position 1 . It has been isolated from Pterocarpus santalinus.
Last Modified5 November 2013
DownloadsMolfile
FormulaC20H22O6
Net Charge0
Average Mass358.390
Monoisotopic Mass358.14164
SMILESC=C[C@H](C1=CC(O)(CC(C)=O)C(OC)=CC1=O)c1ccc(OC)c(O)c1
InChIInChI=1S/C20H22O6/c1-5-14(13-6-7-18(25-3)17(23)8-13)15-11-20(24,10-12(2)21)19(26-4)9-16(15)22/h5-9,11,14,23-24H,1,10H2,2-4H3/t14-,20?/m0/s1
InChIKeyYIMDSLZENLJYDM-PVCZSOGJSA-N
Species of MetaboliteComponentSourceComments
Pterocarpus santalinus (ncbitaxon:1071199) heartwood (PO:0004512) PubMed (21488654) CH2Cl2 soluble portion of MeOH extract of powdered heartwood,both epimers(C-5R & 5S)isolated
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
pterolinus H (CHEBI:67390) has role metabolite (CHEBI:25212)
pterolinus H (CHEBI:67390) has role plant metabolite (CHEBI:76924)
pterolinus H (CHEBI:67390) is a aromatic ether (CHEBI:35618)
pterolinus H (CHEBI:67390) is a cyclic ketone (CHEBI:3992)
pterolinus H (CHEBI:67390) is a phenols (CHEBI:33853)
IUPAC Name 
4-hydroxy-2-[(1S)-1-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-yl]-5-methoxy-4-(2-oxopropyl)cyclohexa-2,5-dien-1-one
Registry NumbersSources
Reaxys:21548614Reaxys
Citations