Bergapten

  • Formula: C12H8O4

  • Molecular weight: 216.19

  • Smiles: COC1=C2C=CC(=O)OC2=CC3=C1C=CO3

  • Type: Furandione

Download

Bergapten

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Bergapten

  • First synonym: None

  • Synonyms: Bergapten,5-Methoxypsoralen,484-20-8,bergaptene,Heraclin,Majudin,4-Methoxy-7H-furo[3,2-g]chromen-7-one,BERGAPTAN,Psoraderm,5-Mop,O-Methylbergaptol,5-Methoxy psoralen,5-Methoxy-6,7-furanocoumarin,5-Methoxyfuranocoumarin,4-methoxyfuro[3,2-g]chromen-7-one,Geralen,Pentaderm,7H-Furo[3,2-g][1]benzopyran-7-one, 4-methoxy-,5 methoxypsoralen,4-Methoxy-7H-furo(3,2-g)(1)benzopyran-7-one,5-methoxypsoralene,4-Methoxyfuro[3,2-g]benzopyran-7-one,NSC 95437,CCRIS 4348,HSDB 3466,EINECS 207-604-5,UNII-4FVK84C92X,MFCD00010272,NSC-95437,Bergaptene (DCF),6-Hydroxy-4-methoxy-5-benzofuranacrylic acid, gamma-lactone,BRN 0019560,4FVK84C92X,7H-Furo(3,2-g)(1)benzopyran-7-one, 4-methoxy-,DTXSID1025560,5-Methoxypsoralen with ultraviolet A therapy,NSC95437,4-methoxy-7H-furo[3,2-g][1]benzopyran-7-one,4-Methoxy-furo[3,2-g]chromen-7-one,4-Methoxyfuro[3,2-g]benzopyrane-7-one,CHEMBL24171,DTXCID305560,CHEBI:18293,5-19-06-00004 (Beilstein Handbook Reference),5-Methoxypsoralen Bergapten,5-METHOXYPSORALEN (IARC),5-METHOXYPSORALEN [IARC],5-METHOXYPSORALEN (MART.),5-METHOXYPSORALEN [MART.],CAS-484-20-8,SMR000112435,4-methoxy-7H-furo(3,2-g)chromen-7-one,5 Methoxy Psoralen,4-METHOXYFURO(3,2-G)CHROMEN-7-ONE,SR-05000002173,Pentaderm (TN),5-methoxy-psoralen,5-methoxyfurano[3,2-g]chromen-2-one,Spectrum_000794,5-methoxy-2H-furo[3,2-g]chromen-2-one,BERGAPTEN [MI],Spectrum2_000534,Spectrum3_000663,Spectrum4_001478,Spectrum5_000155,5-Methoxypsoralen, 99%,5-Methoxypsoralen Heraclin,bmse000758,5-Methoxypsoralen (obsol.),7H-Furo[3, 4-methoxy-,Oprea1_562364,SCHEMBL50066,BSPBio_002325,KBioGR_002055,KBioSS_001274,SPECTRUM300546,MLS002207272,MLS002454380,Bergapten, analytical standard,DivK1c_000529,SPBio_000547,MEGxp0_000990,ACon0_000984,ACon1_001979,GTPL12431,HMS501K11,KBio1_000529,KBio2_001274,KBio2_003842,KBio2_006410,KBio3_001545,NINDS_000529,HMS1923G13,HMS2268M24,HMS3652F19,Pharmakon1600-00300546,5-METHOXYPSORALEN [WHO-DD],BCP30865,HY-N0370,TNP00299,Tox21_202357,Tox21_303255,BDBM50067880,CCG-39946,NSC755877,s4239,STK333038,AKOS000276715,DB12216,DS-2970,NSC-755877,SDCCGMLS-0066492.P001,IDI1_000529,NCGC00017357-01,NCGC00017357-02,NCGC00017357-03,NCGC00017357-04,NCGC00017357-05,NCGC00017357-06,NCGC00017357-07,NCGC00017357-08,NCGC00091582-01,NCGC00091582-02,NCGC00091582-03,NCGC00091582-04,NCGC00178705-01,NCGC00178705-02,NCGC00256998-01,NCGC00259906-01,AC-20189,AC-34208,NCI60_042121,SY051831,SBI-0051583.P002,DB-051552,4-Methoxy-7H-furo[3,2-g]benzopyran-7-one,B2840,NS00015832,SW220008-1,4-Methoxy-7H-furo[3,2-g]chromen-7-one #,C01557,D07521,AB00052148_06,AB00052148_07,Q414779,Q-100536,SR-05000002173-2,SR-05000002173-3,SR-05000002173-5,BRD-K12968785-001-02-6,BRD-K12968785-001-03-4,BRD-K12968785-001-06-7,BRD-K12968785-001-11-7,BRD-K12968785-001-12-5,BRD-K12968785-001-13-3,6-Hydroxy-4-methoxy-5-benzofuranacrylic acid, .gamma.-lactone,InChI=1/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H

Identifiers / External links

Structure

  • Smiles: COC1=C2C=CC(=O)OC2=CC3=C1C=CO3

  • Isomeric smiles: COC1=C2C=CC(=O)OC2=CC3=C1C=CO3

  • Inchi: InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3

  • Inchikey: BGEBZHIAGXMEMV-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C12H8O4

  • Molecular weight: 216.19

  • Monoisotopic mass: 216.04225873

Select an endpoint:

Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Sub category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Endpoint Tool Value Unit Comments Reference