DICL_CP_0310317 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0310317

PubChem CID

6199

Molecular Formula

C₁₁H₆O₃

Molecular Weight

186.166 g/mol

Synonyms/Alias

[Psoralen; 66-97-7; Ficusin; 7H-Furo[3;2-g]chromen-7-one; Furocoumarin; Psoralene; 7H-Furo[3;2-g][1]benzopyran-7-one; Psorline-P; furo[3;2-g]chromen-7-one; 6;7-Furanocoumarin; Furo(3;2-g)-coumarin; Fu...[Psoralen; 66-97-7; Ficusin; 7H-Furo[3;2-g]chromen-7-one; Furocoumarin; Psoralene; 7H-Furo[3;2-g][1]benzopyran-7-one; Psorline-P; furo[3;2-g]chromen-7-one; 6;7-Furanocoumarin; Furo(3;2-g)-coumarin; Furo(2;3;7;6)coumarin; Furo(4;5;6;7)coumarin; Furo[3;2-g]coumarin; NSC 404562; CCRIS 4343; Manaderm; Furo[2;3:7;6]coumarin; Furo[4;5:6;7]coumarin; KTZ7ZCN2EX; UNII-KTZ7ZCN2EX; 7H-Furo(3;2-g)(1)benzopyran-7-one; HSDB 3528; 7H-Furo[3;2-g]benzopyran-7-one; EINECS 200-639-7; 6-Hydroxy-5-benzofuranacrylic acid beta-lactone; NSC-404562; BRN 0152784; Furo[2.3:7.6]coumarin; 5-Benzofuranacrylic acid; 6-hydroxy-; delta-lactone; CHEBI:27616; 6-hydroxy-5-benzofuranacrylic acid delta-lactone; CHEMBL164660; 2H-furo[3;2-g]chromen-2-one; 2-Propenoic acid; 3-(6-hydroxy-5-benzofuranyl)-; delta-lactone; DTXSID00216205; 6-hydroxy-5-benzofuranacrylic acid gamma-lactone; 5-19-04-00445 (Beilstein Handbook Reference); TNP00293; MFCD00010520; 3-(6-hydroxy-5-benzofuranyl)-2-propenoic acid delta-lactone; PSORALEN (USP-RS); PSORALEN [USP-RS]; furo(2;3:7;6)coumarin; furo(4;5:6;7)coumarin; 7H-Furo(3;2-g)chromen-7-one; C11H6O3; furo; furano[3;2-g]chromen-2-one; Psoralene (DCF); Manaderm (TN); Psoralen;(S); Psoralen; 97%; Furo[4;7]coumarin; PHYTOALEXIN-CMPD; PSORALEN [HSDB]; PSORALEN [MI]; PSORALEN [WHO-DD]; Oprea1_841692; SCHEMBL17835; Psoralen; analytical standard; MLS001304059; MEGxp0_001172; Psoralen; >=99% (HPLC); ACon1_001579; pyrano[5;6-f]benzofuran-7-one; DTXCID60138696; 7-furo[3;2-g][1]benzopyra; HMS2267L05; BCP04177; HY-N0053; 7H-Furo[3;2-g]chromen-7-one #; BDBM50331544; NSC404562; s4737; STL564822; AKOS004110987; AC-7968; CCG-266472; CS-3756; FURO(2;3:7;6)COUMARIN; NCGC00017351-01; NCGC00017351-02; NCGC00017351-03; NCGC00017351-07; NCGC00142529-01; AS-59034; SMR000112587; NS00015842; P2077; 7H-Furo[3;2-g][1]benzopyran-7-one; 9CI; 6-hydroxy-5-benzofuranacrylic Acid deta-lacton; C09305; D08450; P-7850; A835599; Q417788; BRD-K47264279-001-01-4; 5-Benzofuranacrylic acid; 6-hydroxy-; .delta.-lactone; Z1201617131; 6-HYDROXY-5-BENZOFURANACRYLIC ACID .DELTA.-LACTONE; 2-Propenoic acid; 3-(6-hydroxy-5-benzofuranyl)-; .delta.-lactone; InChI=1/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6]

InChI Key

ZCCUUQDIBDJBTK-UHFFFAOYSA-N

InChI

InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H

IUPAC Name

furo[3,2-g]chromen-7-one

CAS Number

298-81-7

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

20 22 0 0 0 0 0 0 0 0999 V2000
-1.9360 1.2788 -0.3662 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1659 0.6452 -0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1915 -0.701...

Download SDF File (1763 bytes)

Experimental Data

Activity Data

Target Ion Channel

Cystic fibrosis transmembrane conductance regulator (Chloride channel)

Uniprot Accession Number

P13569

Function

Activator

Species

Homo sapiens (Human)

IC₅₀

IC₅₀: 10000 nM

EC₅₀

N/A (Not available)

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.6

Holding Potential

Not specified

Temperature

37 °C

Test Method

Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay

Test Species

IB3–1 cell

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1152/ajplung.00129.2010

URL

N/A (Not available)

PMID

21148790

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

2.5392

Complexity

52.256

TPSA (Å²)

43.35

H-Bond Donors

H-Bond Acceptors

Ring Count

New Search

Molecular Details

Basic Molecular Information

Basic Information

Structure Information

Chemical Structure Visualization

Experimental Data

Activity Data

Experimental Conditions

Binding Information

Disease Information

References

Computed Properties