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CHEBI:67385 - pterolinus E

Default Structure
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:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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