PubChem CID | 10212 |
Molecular Formula | C16H14O4 |
Structure |
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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 CCRIS 4346 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-butenyl)oxy]- HSDB 3497 9-(3-Methylbut-2-enyloxy)furo(3,2-g)chromen-7-one EINECS 207-581-1 NSC-402949 CHEBI:5885 DTXSID8048737 UNII-K713N25C78 AI3-61725 9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one K713N25C78 9-((3-Methyl-2-butenyl)oxy)-7H-furo(3,2-g)(1)benzopyran-7-one CHEMBL453805 DTXCID5028663 9-((3-methylbut-2-en-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 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)- 5-Benzofuranacrylic acid, 6-hydroxy-7-((3-methyl-2-butenyl)oxy)-, delta-lactone 6-Hydroxy-7-(3-methyl-2-butenyloxy)-5-benzofuranacrylic acid omega-lactone 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 9-(3-Methylbut-2-enyloxy)-7H-furo(3,2-g)chromen-7-one NCGC00095209-01 MARMELOSIN (USP-RS) MARMELOSIN [USP-RS] 9-(3-methylbut-2-enyloxy)-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] 9-((3-methyl-2-butenyl)oxy)-7H-furo(3,2-g)-1-benzopyran-7-one 9-((3-methylbut-2-en-1-yl)oxy)-7H-furo(3,2-g)chromen-7-one 7H-Furo[3,2-g][1]benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)- Pentasalen, BAN Imperatorin,(S) 8-Prenyloxypsoralen Spectrum_000755 SpecPlus_000755 IMPERATORIN [MI] Spectrum2_000376 Spectrum3_000145 Spectrum4_001422 Spectrum5_000244 PENTOSALEN [HSDB] [3,2-g]chromen-7-one PENTOSALEN [WHO-DD] Oprea1_407817 SCHEMBL50437 BSPBio_001850 KBioGR_001864 KBioSS_001235 SPECTRUM102076 MLS000574838 DivK1c_006851 SPBio_000531 Marmelosin, analytical standard MEGxp0_000089 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 NSC402949 s3809 9-(3-methylbut-2-enyloxy)-7H-furo AKOS000277029 Tox21_113179_1 AC-8046 CS-5800 Imperatorin, >=98% (HPLC), powder LP00413 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 I0904 NS00031781 7H-Furo[3, 9-[(3-methyl-2-butenyl)oxy]- C09269 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 Imperatorin, European Pharmacopoeia (EP) Reference Standard 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) 6-Hydroxy-7-(3-Methyl-2-Butenyloxy)-5-Benzofuranacrylic Acid Gamma-Lactone 6-Hydroxy-7-(3-methyl-2butenyloxy)-5-benzofuranacrylic acid delta-lactone 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 6-HYDROXY-7-(3-METHYL-2-BUTENYLOXY)-5-BENZOFURANACRYLIC ACID .GAMMA.-LACTONE 8-Isoamylenoxypsoralen, 8-Isopentenyloxypsoralene, Ammidin, Marmelosin, Penosalen InChI=1/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,7H2,1-2H |
IUPAC Name | 9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one |
SMILES | CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C |
Canonical 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 |
Molecular Weight | 270.28 g/mol |
XLogP3 | 3.4 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 3 |
Exact Mass | 270.089 |
Monoisotopic Mass | 270.089 |
Topological Polar Surface Area | 48.7 |
Heavy Atom Count | 20 |
Formal Charge | 0 |
Complexity | 436 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Insect | Gene Symbol | Validation | Reference |
---|---|---|---|
Amyelois transitella | CYP6AB11 | X | |
Depressaria pastinacella | CYP6AB3 | X | |
Papilio glaucus | CYP6B4V1 | X | |
Spodoptera exigua | CYP9A10 | X | |
Spodoptera exigua | CYP9A107 | X | |
Spodoptera exigua | CYP9A11 | X | |
Spodoptera exigua | CYP9A186 | X | |
Spodoptera exigua | CYP9A30 | X | |
Spodoptera exigua | CYP9A40 | C,X | |
Spodoptera exigua | CYP9A98 | C,X |