4-hydroxymellein (CHEBI:141335)

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ChEBI Name	4-hydroxymellein

ChEBI ID	CHEBI:141335

Definition	An isochromane that is mellein bearing a hydroxy group at position 4.

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

Submitter	R. Stephan

Supplier Information

Download	Molfile XML SDF

Formula

C10H10O4

Net Charge

Average Mass

194.184

Monoisotopic Mass

194.05791

InChI

InChI=1S/C10H10O4/c1-5-9(12)6-3-2-4-7(11)8(6)10(13)14-5/h2-5,9,11-12H,1H3

InChIKey

STSOHAOGZMLWFR-UHFFFAOYSA-N

SMILES

OC1C(C)OC(C2=C1C=CC=C2O)=O

Metabolite of Species	Details
Xylaria longiana (NCBI:txid1033816)	See: Edwards, R.L., Maitland, D.J., Oliver, C.L., Pacey, M.S., Shields, L. and Whalley, A.J.S. (1999) Metabolites of the higher fungi. Part 31.1 Longianone, a C7H6O4 spiro bicyclic lactone from the fungus Xylaria longiana (Rehm.). J. Chem. Soc. Perkin Trans., 1(6), 715–719.
Biatriospora sp. (NCBI:txid1933435)	of strain 8331C See: PubMed
Aspergillus ochraceus (NCBI:txid40380)	See: PubMed
Camponotus quadrisectus (NCBI:txid450392)	See: PubMed
Illigera luzonensis (NCBI:txid74946)	Found in root (BTO:0001188). See: PubMed
Hyalodendriella sp. Ponipodef 12 (NCBI:txid941079)	See: PubMed

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. animal metabolite Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.

ChEBI Ontology
Outgoing	4-hydroxymellein (CHEBI:141335) has functional parent mellein (CHEBI:38760) 4-hydroxymellein (CHEBI:141335) has role animal metabolite (CHEBI:75767) 4-hydroxymellein (CHEBI:141335) has role antifungal agent (CHEBI:35718) 4-hydroxymellein (CHEBI:141335) has role antimicrobial agent (CHEBI:33281) 4-hydroxymellein (CHEBI:141335) has role fungal metabolite (CHEBI:76946) 4-hydroxymellein (CHEBI:141335) has role plant metabolite (CHEBI:76924) 4-hydroxymellein (CHEBI:141335) is a δ-lactone (CHEBI:18946) 4-hydroxymellein (CHEBI:141335) is a isochromanes (CHEBI:38762) 4-hydroxymellein (CHEBI:141335) is a phenols (CHEBI:33853)

IUPAC Name

4,8-dihydroxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one

Synonyms	Sources
3-methyl-4,8-dihydroxy-3,4-dihydroisocoumarin	ChEBI
4,8-dihydroxy-3-methylbenzopyran-1-one	ChEBI
4,8-dihydroxy-3-methylisochroman-1-one	ChEBI
4-hydroxymellein	ChEBI

Last Modified

19 October 2018