Bergaptol
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Formula: C11H6O4
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Molecular weight: 202.16
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Smiles: C1=CC(=O)OC2=CC3=C(C=CO3)C(=C21)O
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Type: Furandione
Bergaptol
Names
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Mycotoxin name: Bergaptol
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First synonym: None
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Synonyms: Bergaptol,486-60-2,5-Hydroxypsoralen,4-Hydroxy-7H-furo[3,2-g]chromen-7-one,5-Hydroxyfuranocoumarin,4-Hydroxybergapten,Psoralin, 5-hydroxy-,4-hydroxyfuro[3,2-g]chromen-7-one,7H-Furo[3,2-g][1]benzopyran-7-one, 4-hydroxy-,Bergaptols,UNII-KTC8ANI30F,KTC8ANI30F,5-Hydroxy-Psoralen,NSC 341958,CHEBI:17377,NSC341958,5-HYDROXY-PSORALIN,NSC-341958,7H-Furo(3,2-g)(1)benzopyran-7-one, 4-hydroxy-,CHEMBL242711,DTXSID40197564,5-Hydroxypsoralen 4-Hydroxybergapten,4-oxidanylfuro[3,2-g]chromen-7-one,5-hydroxy-2H-furo[3,2-g]chromen-2-one,4-Hydroxy-7H-furo(3,2-g)chromen-7-one,4-Hydroxy-7H-furo[3,2-g]chromen-7-one (ACD/Name 4.0),7H-Furo(3,2-g)(1)benzopyran-7-one, 4-hydroxy- (8CI)(9CI),4-hydroxyfuro(3,2-g)chromen-7-one,5-hydroxy-2H-furo(3,2-g)chromen-2-one,4-Hydroxy-7H-furo(3,2-g)chromen-7-one (acd/name 4.0),5-Hydroxy-6,7-furanocoumarin,MFCD00210479,5-Hydroxyfurocoumarin,7H-Furo[3, 4-hydroxy-,BSPBio_002390,MLS002472898,Bergaptol, analytical standard,SCHEMBL194016,SPECTRUM1505137,DTXCID00120055,HMS2270B20,BCP30863,CS-M0862,BDBM50209569,s9442,4-Hydroxybergapten 5-Hydroxypsoralen,AKOS022646985,CCG-266595,NCGC00096026-01,NCGC00096026-02,NCGC00178678-01,AC-34217,AS-56064,DA-05525,HY-76316,SMR001397009,4-Hydroxy-7H-furo[3,2-g]chromen-7-one #,4-Hydroxy7H-furo[3,2-g][1]benzopyran-7-one,C00758,SR-05000002443,Q3638533,SR-05000002443-1,BRD-K36383661-001-01-1,7H-Furo(3,2-g)(1)benzopyran-7-one, 4-hydroxy-(8CI),Z1509594645,{7H-Furo[3,} {2-g][1]benzopyran-7-one,} 4-hydroxy-,7H-Furo(3,2-g)(1)benzopyran-7-one, 4-hydroxy-(8CI)(9CI),8B6
Identifiers / External links
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CAS: 001-01-1,486-60-2
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PubChem CID: 5280371
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DSS TOX CID: DTXCID00120055
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ChEMBL: CHEMBL242711,CHEMBL194016
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US FDA (UNII): UNII-KTC8ANI30F
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Wikidata (wiki): Q3638533
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Chemical Entities of Biological Interest (CHEBI): CHEBI:17377
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CompTox Chemicals Dashboard (DTXSID): DTXSID40197564
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SCHEMBL: SCHEMBL194016
Structure
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Smiles: C1=CC(=O)OC2=CC3=C(C=CO3)C(=C21)O
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Isomeric smiles: C1=CC(=O)OC2=CC3=C(C=CO3)C(=C21)O
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Inchi: InChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H
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Inchikey: GIJHDGJRTUSBJR-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C11H6O4
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Molecular weight: 202.16
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Monoisotopic mass: 202.02660867
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Fungi
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Fungi id Species 125 Aspergillus flavus 233 Aspergillus sojae 291 Aspergillus wentii