CHEBI:67385 - pterolinus E

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ChEBI Name pterolinus E
ChEBI ID CHEBI:67385
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C17H18O6
Net Charge 0
Average Mass 318.322
Monoisotopic Mass 318.11034
InChI InChI=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
InChIKey AKHDQNNOJBGYAP-VVVCHXIZSA-N
SMILES C1(=CC(=O)C(=CC1=O)OC)[C@H]([C@H](C=2C=CC(OC)=C(C2)O)O)C
Metabolite of Species Details
Pterocarpus santalinus (NCBI:txid1071199) Found in heartwood (PO:0004512). Dichloromethane soluble portion of MeOH extract of powdered heartwood See: PubMed
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
21548616 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21488654 PubMed citation Europe PMC
Last Modified
03 June 2016