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Imperatorin

  • Formula: C16H14O4

  • Molecular weight: 270.28

  • Smiles: CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C

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Imperatorin

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

Names

  • Mycotoxin name: Imperatorin

  • First synonym: Imperatorin

  • Synonyms: IMPERATORIN,482-44-0,Ammidin,Marmelosin,Pentosalen,8-Isoamylenoxypsoralen,8-Isopentenyloxypsoralene,Marmelide,NSC 402949,9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one,7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-butenyl)oxy]-,UNII-K713N25C78,9-(3-Methylbut-2-enyloxy)furo(3,2-g)chromen-7-one,9-(3-methylbut-2-enyloxy)-7H-furo[3,2-g]chromen-7-one,CHEBI:5885,CHEMBL453805,9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one,9-[(3-methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one,9-[(3-METHYL-2-BUTEN-1-YL)OXY]-7H-FURO[3,2-G][1]BENZOPYRAN-7-ONE,MFCD00016881,9-(3-Methylbut-2-enyloxy)furo[3,2-g]chromen-7-one,K713N25C78,9-(3-Methylbut-2-enyloxy)-7H-furo(3,2-g)chromen-7-one,NCGC00095209-01,7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-,DSSTox_CID_28663,DSSTox_RID_82933,DSSTox_GSID_48737,9-((3-methylbut-2-en-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one,9-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g]-1-benzopyran-7-one,CAS-482-44-0,Pentosalen [BAN],CCRIS 4346,HSDB 3497,EINECS 207-581-1,AI3-61725,7H-Furo[3,2-g][1]benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-,Pentasalen, BAN,Imperatorin,(S),8-Prenyloxypsoralen,Spectrum_000755,5-hydroxy-8-(1,1-dimethylallyl)psoralen,SpecPlus_000755,9-((3-Methyl-2-butenyl)oxy)-7H-furo(3,2-g)(1)benzopyran-7-one,Spectrum2_000376,Spectrum3_000145,Spectrum4_001422,Spectrum5_000244,[3,2-g]chromen-7-one,6-Hydroxy-7-(3-methyl-2-butenyloxy)-5-benzofuranacrylic acid omega-lactone,5-Benzofuranacrylic acid, 6-hydroxy-7-((3-methyl-2-butenyl)oxy)-, delta-lactone,Oprea1_407817,SCHEMBL50437,BSPBio_001850,KBioGR_001864,KBioSS_001235,SPECTRUM102076,MLS000574838,DivK1c_006851,SPBio_000531,Marmelosin, analytical standard,MEGxp0_000089,ZINC1904,DTXSID8048737,ACon1_001117,KBio1_001795,KBio2_001235,KBio2_003803,KBio2_006371,KBio3_001050,HMS1922N22,HMS2218G08,HMS3261C08,HMS3354E04,HMS3885G06,BCP28280,HY-N0285,8-(3-Methyl-2-butenyloxy)psoralen,Tox21_113179,Tox21_500413,BDBM50308719,CCG-38649,CI0030,NSC402949,s3809,9-(3-methylbut-2-enyloxy)-7H-furo,AKOS000277029,Tox21_113179_1,AC-8046,CS-5800,Imperatorin, >=98% (HPLC), powder,LP00413,MCULE-3248623364,NSC-402949,SDCCGMLS-0066373.P001,SDCCGSBI-0052715.P002,NCGC00095209-02,NCGC00095209-03,NCGC00095209-04,NCGC00095209-05,NCGC00095209-06,NCGC00095209-12,NCGC00169661-01,NCGC00169661-02,NCGC00261098-01,AS-71539,SMR000156241,DB-050234,WLN: T C566 DO LVOTJ BO2UY1&1,FT-0603414,I0904,N1859,ST45000841,W1274,7H-Furo[3, 9-[(3-methyl-2-butenyl)oxy]-,A14565,C09269,482I440,A827504,SR-01000721772,Q-100532,Q1649534,SR-01000721772-2,9-(3-Methyl-2-butenyloxy)-7-oxofuro[3,2-g]chromene,9-(3-Methyl-but-2-enyloxy)-furo[3,2-g]chromen-7-one,9-(3-methylbut-2-enyloxy)furano[3,2-g]chromen-2-one,Imperatorin, European Pharmacopoeia (EP) Reference Standard,9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one;Imperatorin,9-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g]chromen-7-one #,9-[(3-methylbut-2-en-1-yl)oxy]-2H-furo[3,2-g]chromen-2-one,9-[(3-Methylbut-2-enyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one,(9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one),7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-buten-1-yl)oxy]-,9-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one, 9CI,5-Benzofuranacrylic acid, 6-hydroxy-7-((3-methyl-2-butenyl)oxy)-, .delta.-lactone

Identifiers / External links

Structure

  • Smiles: CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C

  • Isomeric smiles: CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C

  • Inchi: InChI=1S/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H3

  • Inchikey: OLOOJGVNMBJLLR-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C16H14O4

  • Molecular weight: 270.28

  • Monoisotopic mass: 270.08920892

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