PubChem CID | 10658 |
Molecular Formula | C11H6O3 |
Structure |
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Synonyms |
Angelicin
523-50-2 ISOPSORALEN 2H-Furo[2,3-H]chromen-2-one furo[2,3-h]chromen-2-one Angecin 2-Oxo-(2H)-furo(2,3-h)-1-benzopyran Furo(2,3-h)coumarin Isopsoralin 2H-Furo[2,3-H]-1-benzopyran-2-one Angelicin (coumarin derivative) Angelicin (coumarin deriv) Angelecin CCRIS 4276 Furo(5',4':7,8)coumarin NSC 404563 2H-Furo(2,3-H)-1-benzopyran-2-one HSDB 3554 UNII-CZZ080D7BD CZZ080D7BD 4-Hydroxy-5-benzofuranacrylic acid gamma-lactone BRN 0153970 CHEBI:28928 3-(4-Hydroxy-5-benzofuranyl)-2-propenoic acid gamma-lactone NSC-404563 2H-Furo(2,3-h)(1)benzopyran-2-one CHEMBL53569 Furo[5',4':7,8]coumarin 2-Propenoic acid, 3-(4-hydroxy-5-benzofuranyl)-, delta-lactone DTXSID00200321 5-19-04-00447 (Beilstein Handbook Reference) MFCD00064930 Furo[2,3-h]coumarin 2H-furo(2,3-h)chromen-2-one Isopsoralen,(S) Furo[5',8]coumarin Angelicin (Isopsoralen) ISOPSORALEN [HSDB] Oprea1_022970 Angelicin, analytical standard SCHEMBL376379 Furo(5',4',7,8)coumarin Furo[2,3-h]benzopyran-2-one NIOSH/LV0940100 pyrano[6,5-e]benzofuran-2-one DTXCID00122812 XDROKJSWHURZGO-UHFFFAOYSA-N HMS1645D18 BCP29934 HY-N0763 2H-Furo[2,3-H]chromen-2-one # BDBM50331545 NSC404563 s3892 STL564561 AKOS006281380 Angelicin plus ultraviolet A radiation CCG-266471 CS-3754 Furo[2,3-h]chromen-2-one(angelicin) NCGC00388372-01 AC-33978 AS-35334 LV09401000 NS00094600 C09060 EN300-6730963 A829042 4-Hydroxy-5-benzofuranacrylic acid .gamma.-lactone Q-100592 Q2849857 Isopsoralen pound>>2-Oxo-(2H)-furo(2,3-h)-1-benzopyran 3-(4-Hydroxy-5-benzofuranyl)-2-propenoic acid .gamma.-lactone 2-Propenoic acid, 3-(4-hydroxy-5-benzofuranyl)-, .delta.-lactone 2H-Furo(2,3-h)(1)benzopyran-2-one, plus ultraviolet A radiation InChI=1/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6 |
IUPAC Name | furo[2,3-h]chromen-2-one |
SMILES | C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3 |
Canonical SMILES | C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3 |
InChI | InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H |
InChIKey | XDROKJSWHURZGO-UHFFFAOYSA-N |
Molecular Weight | 186.16 g/mol |
XLogP3 | 2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 0 |
Exact Mass | 186.032 |
Monoisotopic Mass | 186.032 |
Topological Polar Surface Area | 39.4 |
Heavy Atom Count | 14 |
Formal Charge | 0 |
Complexity | 284 |
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 |
---|---|---|---|
Helicoverpa zea | CYP321A1 | X | |
Papilio polyxenes | CYP6B1 | X |