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CHEBI:68110 - penipanoid B

ChEBI IDCHEBI:68110
ChEBI Namepenipanoid B
Stars
DefinitionAn alkaloid that is 3a,4-dihydroimidazo[1,5-a]quinazolin-5(3H)-one substituted by a 4-hydroxyphenyl group at position 3. It has been isolated from Penicillium paneum.
Last Modified13 January 2014
DownloadsMolfile
FormulaC16H13N3O2
Net Charge0
Average Mass279.299
Monoisotopic Mass279.10078
SMILES[H][C@@]1(c2ccc(O)cc2)N=CN2c3ccccc3C(=O)N[C@]21[H]
InChIInChI=1S/C16H13N3O2/c20-11-7-5-10(6-8-11)14-15-18-16(21)12-3-1-2-4-13(12)19(15)9-17-14/h1-9,14-15,20H,(H,18,21)/t14-,15+/m0/s1
InChIKeySCCCIBBXTCKOTC-LSDHHAIUSA-N
Species of MetaboliteComponentSourceComments
Penicillium paneum (ncbitaxon:68879) - PubMed (21495659) Ethylacetate extract of fermented rice substrate Strain: SD 44
Roles Classification
Biological Roles:
Penicillium metabolite  Any fungal metabolite produced during a metabolic reaction in Penicillium.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
penipanoid B (CHEBI:68110) has role Penicillium metabolite (CHEBI:76964)
penipanoid B (CHEBI:68110) is a alkaloid (CHEBI:22315)
penipanoid B (CHEBI:68110) is a organic heterotricyclic compound (CHEBI:26979)
penipanoid B (CHEBI:68110) is a phenols (CHEBI:33853)
IUPAC Name 
rel-(3S,3aR)-3-(4-hydroxyphenyl)-3a,4-dihydroimidazo[1,5-a]quinazolin-5(3H)-one
Registry NumbersSources
Reaxys:21548731Reaxys
Citations