EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:68112 - 2-(4-hydroxybenzyl)quinazolin-4(3H)-one

ChEBI IDCHEBI:68112
ChEBI Name2-(4-hydroxybenzyl)quinazolin-4(3H)-one
Stars
ASCII Name2-(4-hydroxybenzyl)quinazolin-4(3H)-one
DefinitionA quinazoline alkaloid that is quinazolin-4(3H)-one substituted by a 4-hydroxybenzyl group at position 2. It has been isolated from Penicillium paneum and Isaria farinosa.
Last Modified13 January 2014
DownloadsMolfile
FormulaC15H12N2O2
Net Charge0
Average Mass252.273
Monoisotopic Mass252.08988
SMILESO=c1nc(Cc2ccc(O)cc2)nc2ccccc12
InChIInChI=1S/C15H12N2O2/c18-11-7-5-10(6-8-11)9-14-16-13-4-2-1-3-12(13)15(19)17-14/h1-8,18H,9H2,(H,16,17,19)
InChIKeyMVWHKEGFSBSUSY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium paneum (ncbitaxon:68879) - PubMed (21495659) Ethylacetate extract of fermented rice substrate Strain: SD 44
Isaria farinosa (ncbitaxon:89141)
- PubMed (21495659) Cordyceps colonizing fungus
- PubMed (21158423) EtOAc extract of fermented material of fungus inhabiting fruiting bodieds of Cordyceps sinensis
Roles Classification
Biological Role:
Penicillium metabolite  Any fungal metabolite produced during a metabolic reaction in Penicillium.
ChEBI Ontology
Outgoing Relation(s)
2-(4-hydroxybenzyl)quinazolin-4(3H)-one (CHEBI:68112) has role Penicillium metabolite (CHEBI:76964)
2-(4-hydroxybenzyl)quinazolin-4(3H)-one (CHEBI:68112) is a phenols (CHEBI:33853)
2-(4-hydroxybenzyl)quinazolin-4(3H)-one (CHEBI:68112) is a quinazolines (CHEBI:38530)
IUPAC Name 
2-(4-hydroxybenzyl)quinazolin-4(3H)-one
Registry NumbersSources
Reaxys:21218490Reaxys
Citations