Angelicin


PubChem CID 10658
Molecular Formula C11H6O3
Structure Compound Image
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

Computed Descriptors


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

Computed Properties

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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

Annotation

  • D002491 - Central Nervous System Agents
  • D000927 - Anticonvulsants|D002491 - Central Nervous System Agents
  • D002492 - Central Nervous System Depressants|D002491 - Central Nervous System Agents
  • D011619 - Psychotropic Drugs
  • D014149 - Tranquilizing Agents|D011838 - Radiation-Sensitizing Agents
  • D017319 - Photosensitizing Agents
  • D011564 - Furocoumarins|D019995 - Laboratory Chemicals
  • D007202 - Indicators and Reagents
  • D007364 - Intercalating Agents
  • 2 pairs of Verified P450 and Angelicin


    Insect Gene Symbol Validation Reference
    Helicoverpa zea CYP321A1 X
    Papilio polyxenes CYP6B1 X