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CHEBI:67385 - pterolinus E

ChEBI IDCHEBI:67385
ChEBI Namepterolinus E
Stars
DefinitionA member of the class of 1,4-benzoquinones that is substituted by a methoxy group at position 5 and a propan-2-yl group at position 2 which in turn is substituted by a hydroxy group and a 3-hydroxy-4-methoxyphenyl groups at position 1. It has been isolated from Pterocarpus santalinus.
Last Modified3 June 2016
DownloadsMolfile
FormulaC17H18O6
Net Charge0
Average Mass318.325
Monoisotopic Mass318.11034
SMILESCOC1=CC(=O)C([C@@H](C)[C@@H](O)c2ccc(OC)c(O)c2)=CC1=O
InChIInChI=1S/C17H18O6/c1-9(11-7-14(20)16(23-3)8-12(11)18)17(21)10-4-5-15(22-2)13(19)6-10/h4-9,17,19,21H,1-3H3/t9-,17-/m1/s1
InChIKeyAKHDQNNOJBGYAP-VVVCHXIZSA-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 E (CHEBI:67385) has role metabolite (CHEBI:25212)
pterolinus E (CHEBI:67385) has role plant metabolite (CHEBI:76924)
pterolinus E (CHEBI:67385) is a 1,4-benzoquinones (CHEBI:132124)
pterolinus E (CHEBI:67385) is a aromatic ether (CHEBI:35618)
pterolinus E (CHEBI:67385) is a phenols (CHEBI:33853)
pterolinus E (CHEBI:67385) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
rel-2-[(1R,2R)-1-hydroxy-1-(3-hydroxy-4-methoxyphenyl)propan-2-yl]-5-methoxy-1,4-benzoquinone
Registry NumbersSources
Reaxys:21548616Reaxys
Citations