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CHEBI:67388 - pterolinus F

Default Structure
ChEBI IDCHEBI:67388
ChEBI Namepterolinus F
Stars
DefinitionA benzoate ester that is methyl 2,5-dihydroxybenzoate substituted by a prop-2-en-1-yl group at position 4 which in turn is substituted by a 3-hydroxy-4-methoxyphenyl substituent at position 1. It has been isolated from Pterocarpus santalinus.
Last Modified5 November 2013
DownloadsMolfile
FormulaC18H18O6
Net Charge0
Average Mass330.336
Monoisotopic Mass330.11034
SMILESC=C[C@@H](c1ccc(OC)c(O)c1)c1cc(O)c(C(=O)OC)cc1O
InChIInChI=1S/C18H18O6/c1-4-11(10-5-6-17(23-2)16(21)7-10)12-8-15(20)13(9-14(12)19)18(22)24-3/h4-9,11,19-21H,1H2,2-3H3/t11-/m0/s1
InChIKeyOROYBJUZDRBHII-NSHDSACASA-N
Species of MetaboliteComponentSourceComments
Pterocarpus santalinus (ncbitaxon:1071199) heartwood (PO:0004512) PubMed (21488654) Dichloromethane soluble portion of MeOH extract of powdered heartwood
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 F (CHEBI:67388) has role metabolite (CHEBI:25212)
pterolinus F (CHEBI:67388) has role plant metabolite (CHEBI:76924)
pterolinus F (CHEBI:67388) is a aromatic ether (CHEBI:35618)
pterolinus F (CHEBI:67388) is a benzoate ester (CHEBI:36054)
pterolinus F (CHEBI:67388) is a hydroquinones (CHEBI:24646)
IUPAC Name 
methyl 2,5-dihydroxy-4-[(1S)-1-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-yl]benzoate
Registry NumbersSources
Reaxys:21548612Reaxys
Citations