pterolinus H (CHEBI:67390)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	pterolinus H

ChEBI ID	CHEBI:67390

Definition	A cyclic ketone that is cyclohexa-2,5-dien-1-one substituted by a methoxy group at position 5, a 2-oxopropyl group at position 4, a hydroxy group at position 4 and a prop-2-en-1-yl group at position 2 which in turn is substituted by s a 3-hydroxy-4-methoxyphenyl group at position 1 . It has been isolated from Pterocarpus santalinus.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C20H22O6

Net Charge

Average Mass

358.38510

Monoisotopic Mass

358.14164

InChI

InChI=1S/C20H22O6/c1-5-14(13-6-7-18(25-3)17(23)8-13)15-11-20(24,10-12(2)21)19(26-4)9-16(15)22/h5-9,11,14,23-24H,1,10H2,2-4H3/t14-,20?/m0/s1

InChIKey

YIMDSLZENLJYDM-PVCZSOGJSA-N

SMILES

COC1=CC(=O)C(=CC1(O)CC(C)=O)[C@@H](C=C)c1ccc(OC)c(O)c1

Metabolite of Species	Details
Pterocarpus santalinus (NCBI:txid1071199)	Found in heartwood (PO:0004512). CH2Cl2 soluble portion of MeOH extract of powdered heartwood,both epimers(C-5R & 5S)isolated 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.

ChEBI Ontology
Outgoing	pterolinus H (CHEBI:67390) has role metabolite (CHEBI:25212) pterolinus H (CHEBI:67390) has role plant metabolite (CHEBI:76924) pterolinus H (CHEBI:67390) is a aromatic ether (CHEBI:35618) pterolinus H (CHEBI:67390) is a cyclic ketone (CHEBI:3992) pterolinus H (CHEBI:67390) is a phenols (CHEBI:33853)

IUPAC Name

4-hydroxy-2-[(1S)-1-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-yl]-5-methoxy-4-(2-oxopropyl)cyclohexa-2,5-dien-1-one

Registry Number	Type	Source
21548614	Reaxys Registry Number	Reaxys

Citation	Type	Source
21488654	PubMed citation	Europe PMC

Last Modified

05 November 2013