CHEBI:67391 - pterolinus I

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ChEBI Name pterolinus I
ChEBI ID CHEBI:67391
Definition An organic heterotricyclic compound found in Pterocarpus santalinus.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H20O6
Net Charge 0
Average Mass 332.34780
Monoisotopic Mass 332.12599
InChI InChI=1S/C18H20O6/c1-5-11-10-6-13(19)14(22-2)7-12(10)17(21)9-18(11,24-4)16(23-3)8-15(17)20/h5-8,11,19,21H,1,9H2,2-4H3/t11-,17-,18+/m0/s1
InChIKey UVODXVDWVWOACM-FJNPEDAXSA-N
SMILES COc1cc2c(cc1O)[C@H](C=C)[C@@]1(C[C@@]2(O)C(=O)C=C1OC)OC
Metabolite of Species Details
Pterocarpus santalinus (NCBI:txidtxid1071199) 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 I (CHEBI:67391) has role metabolite (CHEBI:25212)
pterolinus I (CHEBI:67391) has role plant metabolite (CHEBI:76924)
pterolinus I (CHEBI:67391) is a aromatic ether (CHEBI:35618)
pterolinus I (CHEBI:67391) is a cyclic ketone (CHEBI:3992)
pterolinus I (CHEBI:67391) is a organic heterotricyclic compound (CHEBI:26979)
pterolinus I (CHEBI:67391) is a phenols (CHEBI:33853)
pterolinus I (CHEBI:67391) is a tertiary α-hydroxy ketone (CHEBI:139592)
pterolinus I (CHEBI:67391) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
rel-(5S,9R,10S)-2,5-dihydroxy-3,8,9-trimethoxy-10-vinyl-9,10-dihydro-5,9-methanobenzo[8]annulen-6(5H)-one
Registry Number Type Source
21548613 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21488654 PubMed citation Europe PMC
Last Modified
07 February 2018