DICL_CP_0310314 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0310314

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
-2.1098 1.0296 0.0785 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2240 0.2291 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0387 -1.129...

Download SDF File (1763 bytes)

Experimental Data

Activity Data

Target Ion Channel

Potassium voltage-gated channel subfamily A member 5

Uniprot Accession Number

P22460

Function

Inhibitor

Species

Homo sapiens (Human)

IC₅₀

N/A (Not available)

EC₅₀

N/A (Not available)

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

72.8% inhibition at 10 μM

Experimental Conditions

pH 7.2

Holding Potential

−80 mV mV

Temperature

Room Temperature

Test Method

Patch-clamping

Test Species

Not specified

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1007/BF02977688

URL

N/A (Not available)

PMID

17366735

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