Logo Anses
Logo Interreg

Xanthotoxin

  • Formula: C12H8O4

  • Molecular weight: 216.19

  • Smiles: COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2

  • Type: Furanocoumarin

Download

Xanthotoxin

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

Names

  • Mycotoxin name: Xanthotoxin

  • First synonym: None

  • Synonyms: methoxsalen,8-Methoxypsoralen,298-81-7,XANTHOTOXIN,Meladinine,Oxypsoralen,8-MOP,9-Methoxy-7H-furo[3,2-g]chromen-7-one,Oxsoralen,Xanthotoxine,Ammoidin,Puvalen,Meladinin,Meloxine,Uvadex,Meladoxen,Ammodin,8-Methoxypsoralene,Methoxa-Dome,New-Meladinin,Zanthotoxin,Puvamet,Oxsoralen-ultra,9-Methoxypsoralen,Geroxalen,Methoxalen,Oxsoralen lotion,Psoralon-MOP,8-Methoxyfuranocoumarin,Proralone-mop,8-MP,O-methylxanthotoxol,Vitpso,Ultra Mop,9-methoxyfuro[3,2-g]chromen-7-one,8-Methoxy-2',3',6,7-furocoumarin,9-Methoxy-7H-furo[3,2-g][1]benzopyran-7-one,NCI-C55903,Methoxsalene,Metoxalen,Metoxaleno,7H-Furo[3,2-g][1]benzopyran-7-one, 9-methoxy-,8-methoxsalen,8-Methoxy-4',5',6,7-furocoumarin,7-Furocoumarin,Methoxy-8-psoralen,NSC45923,6-Hydroxy-7-methoxy-5-benzofuranacrylic acid delta-lactone,NSC 45923,8-Methoxy-4',5':6,7-furocoumarin,CCRIS 2083,HSDB 2505,UNII-U4VJ29L7BQ,8-Methoxy-(furano-3'.2':6.7-coumarin),8-Methoxy-[furano-3'.2':6.7-coumarin],EINECS 206-066-9,U4VJ29L7BQ,8-methoxy psoralen,MFCD00005009,NSC-45923,9-Methoxy-7H-furo(3,2-g)(1)benzopyran-7-one,BRN 0196453,DTXSID8020830,7H-Furo(3,2-G)(1)benzopyran-7-one, 9-methoxy-,CHEBI:18358,Methoxsalen (Oxsoralen),9-Methoxy-7H-furo(3,2-g)benzopyran-7-one,SM-88 COMPONENT METHOXSALEN,9-Methoxyfuro(3,2-g)chromen-7-one,5-Benzofuranacrylic acid, 6-hydroxy-7-methoxy-, delta-lactone,CHEMBL416,Oxsoralen Ultra,DTXCID40830,Methoxsalen [USP:BAN:JAN],8-Methoxy-6,7-furanocoumarin,9-(methyloxy)-7H-furo[3,2-g]chromen-7-one,Psoralen-mop,5-19-06-00015 (Beilstein Handbook Reference),9-METHOXY-2H-FURO[3,2-G]CHROMEN-2-ONE,Meladinin (VAN),NCGC00016418-07,CAS-298-81-7,Methoxaten,Oxoralen,METHOXSALEN (IARC),METHOXSALEN [IARC],8 Methoxypsoralen,METHOXSALEN (MART.),METHOXSALEN [MART.],METHOXSALEN (USP-RS),METHOXSALEN [USP-RS],Methoxsalen (USP:BAN:JAN),1246819-63-5,Deltapsoralen,Dltasoralen,METHOXSALEN (USP MONOGRAPH),METHOXSALEN [USP MONOGRAPH],Methoxsalen, 8-,SMR000071170,9-methoxy-7H-furo(3,2-g)chromen-7-one,8-Methoxypsoralen with ultraviolet A therapy,OXSORALEN (TN),SR-01000629727,Methoxsalen plus ultraviolet radiation,methoxypsoralen,Mopsoralen,Puvasoralen,Oxoralen-Ultra,9-Methoxyfuro[3,2-g][1]benzopyran-7-one,Prestwick_661,9-methoxyfurano[3,2-g]chromen-2-one,Spectrum_001023,ST041029,8-Methoxy(furano-3'.2':6.7-coumarin),METHOXSALEN [MI],Prestwick0_000479,Prestwick1_000479,Prestwick2_000479,Prestwick3_000479,Spectrum2_001052,Spectrum3_000499,Spectrum4_000052,Spectrum5_001891,METHOXSALEN [JAN],UVADEX (TN),Xanthotoxin (Methoxsalen),X0009,METHOXSALEN [HSDB],Methoxsalen (JP17/USP),METHOXSALEN [VANDF],8-MOP Xanthotoxin Ammoidin,7H-Furo[3, 9-methoxy-,Oprea1_166319,SCHEMBL19168,BSPBio_000618,BSPBio_001997,KBioGR_000543,KBioSS_001503,METHOXSALEN [WHO-DD],8MO,MLS000062633,MLS002303011,DivK1c_000763,SPECTRUM1500400,SPBio_001004,SPBio_002557,BPBio1_000680,MEGxp0_000095,Xanthotoxin, analytical standard,Methoxsalen (8-Methoxypsoralen),ACon1_000174,GTPL12457,HMS502G05,KBio1_000763,KBio2_001503,KBio2_004071,KBio2_006639,KBio3_001497,METHOXSALEN [ORANGE BOOK],8-Methoxy-2',6,7-furocoumarin,8-Methoxy-4',6,7-furocoumarin,NINDS_000763,HMS1569O20,HMS1920N05,HMS2091D20,HMS2096O20,HMS2269P03,HMS3259L13,HMS3655B05,HMS3884K16,Pharmakon1600-01500400,5-Benzofuranacrylic acid, 6-hydroxy-7-methoxy-, .delta.-lactone,BCP28212,Tox21_110432,Tox21_201767,Tox21_302816,8-Methoxypsoralen Xanthotoxin 8-MOP,BDBM50041234,CCG-36366,NSC757114,s1952,STK735539,WLN: T C566 DO LVOJ BO1,8-Methoxypsoralen, analytical standard,AKOS000277012,Tox21_110432_1,9-Methoxy-furo[3,2-g]chromen-7-one,AC-4259,CS-1983,DB00553,DS-5159,NC00652,NSC-757114,SDCCGMLS-0042377.P002,IDI1_000763,8-methoxy-2'',3'',6,7-furocoumarin,8-methoxy-4'',5'':6,7-furocoumarin,NCGC00016418-01,NCGC00016418-02,NCGC00016418-03,NCGC00016418-04,NCGC00016418-05,NCGC00016418-06,NCGC00016418-08,NCGC00016418-09,NCGC00016418-10,NCGC00016418-11,NCGC00016418-12,NCGC00016418-14,NCGC00016418-15,NCGC00060938-02,NCGC00060938-03,NCGC00060938-04,NCGC00060938-05,NCGC00060938-06,NCGC00178871-01,NCGC00178871-02,NCGC00178871-03,NCGC00256435-01,NCGC00259316-01,HY-30151,NCI60_004085,8-Methoxy(furano-3',2':6,7-coumarin),SBI-0051443.P003,NS00004875,SW167762-4,8-methoxy-[furano-3''.2'':6.7-coumarin],9-Methoxy-7H-furo[3,2-g]chromen-7-one #,EN300-52504,C01864,D00139,AB00052042-14,AB00052042-15,AB00052042_16,AB00052042_17,A820092,Q408570,Q-100381,SR-01000629727-2,SR-01000629727-4,BRD-K63430059-001-03-2,BRD-K63430059-001-06-5,BRD-K63430059-001-09-9,BRD-K63430059-001-16-4,BRD-K63430059-001-17-2,Z754918916,Methoxsalen, United States Pharmacopeia (USP) Reference Standard,5-BENZOFURANACRYLIC ACIDE, 6-HYDROXY-7-METHOXY-, DELTA-LACTONE,12692-94-3

Identifiers / External links

Structure

  • Smiles: COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2

  • Isomeric smiles: COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2

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

  • Inchikey: QXKHYNVANLEOEG-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

Fungi