DICL_CP_0313467 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0313467

PubChem CID

4114

Molecular Formula

C₁₂H₈O₄

Molecular Weight

216.192 g/mol

Synonyms/Alias

[methoxsalen; 8-Methoxypsoralen; 298-81-7; XANTHOTOXIN; Meladinine; Oxypsoralen; 9-Methoxy-7H-furo[3;2-g]chromen-7-one; 8-MOP; Oxsoralen; Xanthotoxine; Ammoidin; Puvalen; Meladinin; Meloxine; Uvadex; ...[methoxsalen; 8-Methoxypsoralen; 298-81-7; XANTHOTOXIN; Meladinine; Oxypsoralen; 9-Methoxy-7H-furo[3;2-g]chromen-7-one; 8-MOP; Oxsoralen; Xanthotoxine; Ammoidin; Puvalen; Meladinin; Meloxine; Uvadex; Meladoxen; Ammodin; 8-Methoxypsoralene; Methoxa-Dome; New-Meladinin; Zanthotoxin; Puvamet; Oxsoralen-ultra; 9-Methoxypsoralen; Geroxalen; Methoxalen; Oxsoralen lotion; Psoralon-MOP; 8-Methoxyfuranocoumarin; Proralone-mop; 8-MP; O-methylxanthotoxol; Vitpso; Ultra Mop; 9-methoxyfuro[3;2-g]chromen-7-one; 8-Methoxy-2;3;6;7-furocoumarin; 9-Methoxy-7H-furo[3;2-g][1]benzopyran-7-one; NCI-C55903; Methoxsalene; Metoxalen; Metoxaleno; 8-methoxsalen; 8-Methoxy-4;5;6;7-furocoumarin; 7H-Furo[3;2-g][1]benzopyran-7-one; 9-methoxy-; 7-Furocoumarin; Methoxy-8-psoralen; NSC45923; 6-Hydroxy-7-methoxy-5-benzofuranacrylic acid delta-lactone; NSC 45923; 8-Methoxy-4;5:6;7-furocoumarin; CCRIS 2083; HSDB 2505; UNII-U4VJ29L7BQ; 8-Methoxy-(furano-3.2:6.7-coumarin); 8-Methoxy-[furano-3.2:6.7-coumarin]; EINECS 206-066-9; U4VJ29L7BQ; 8-methoxy psoralen; NSC-45923; 9-Methoxy-7H-furo(3;2-g)(1)benzopyran-7-one; BRN 0196453; DTXSID8020830; 7H-Furo(3;2-G)(1)benzopyran-7-one; 9-methoxy-; CHEBI:18358; Methoxsalen (Oxsoralen); 9-Methoxy-7H-furo(3;2-g)benzopyran-7-one; SM-88 COMPONENT METHOXSALEN; MFCD00005009; 9-Methoxyfuro(3;2-g)chromen-7-one; 5-Benzofuranacrylic acid; 6-hydroxy-7-methoxy-; delta-lactone; CHEMBL416; Oxsoralen Ultra; DTXCID40830; Methoxsalen [USP:BAN:JAN]; 8-Methoxy-6;7-furanocoumarin; 9-(methyloxy)-7H-furo[3;2-g]chromen-7-one; Psoralen-mop; 5-19-06-00015 (Beilstein Handbook Reference); 9-METHOXY-2H-FURO[3;2-G]CHROMEN-2-ONE; Meladinin (VAN); NCGC00016418-07; CAS-298-81-7; Methoxaten; Oxoralen; METHOXSALEN (IARC); METHOXSALEN [IARC]; 8 Methoxypsoralen; METHOXSALEN (MART.); METHOXSALEN [MART.]; METHOXSALEN (USP-RS); METHOXSALEN [USP-RS]; Methoxsalen (USP:BAN:JAN); Deltapsoralen; Dltasoralen; METHOXSALEN (USP MONOGRAPH); METHOXSALEN [USP MONOGRAPH]; Methoxsalen; 8-; SMR000071170; 9-methoxy-7H-furo(3;2-g)chromen-7-one; 1246819-63-5; 8-Methoxypsoralen with ultraviolet A therapy; OXSORALEN (TN); SR-01000629727; Methoxsalen plus ultraviolet radiation; methoxypsoralen; Mopsoralen; Puvasoralen; Oxoralen-Ultra; 9-Methoxyfuro[3;2-g][1]benzopyran-7-one; Prestwick_661; 9-methoxyfurano[3;2-g]chromen-2-one; Spectrum_001023; ST041029; 8-Methoxy(furano-3.2:6.7-coumarin); METHOXSALEN [MI]; Prestwick0_000479; Prestwick1_000479; Prestwick2_000479; Prestwick3_000479; Spectrum2_001052; Spectrum3_000499; Spectrum4_000052; Spectrum5_001891; METHOXSALEN [JAN]; UVADEX (TN); Xanthotoxin (Methoxsalen); X0009; METHOXSALEN [HSDB]; Methoxsalen (JP17/USP); METHOXSALEN [VANDF]; 8-MOP;Xanthotoxin;Ammoidin; 7H-Furo[3; 9-methoxy-; Oprea1_166319; SCHEMBL19168; BSPBio_000618; BSPBio_001997; KBioGR_000543; KBioSS_001503; METHOXSALEN [WHO-DD]; 8MO; MLS000062633; MLS002303011; DivK1c_000763; SPECTRUM1500400; SPBio_001004; SPBio_002557; BPBio1_000680; MEGxp0_000095; Xanthotoxin; analytical standard; Methoxsalen (8-Methoxypsoralen); ACon1_000174; GTPL12457; HMS502G05; KBio1_000763; KBio2_001503; KBio2_004071; KBio2_006639; KBio3_001497; METHOXSALEN [ORANGE BOOK]; 8-Methoxy-2;6;7-furocoumarin; 8-Methoxy-4;6;7-furocoumarin; NINDS_000763; HMS1569O20; HMS1920N05; HMS2091D20; HMS2096O20; HMS2269P03; HMS3259L13; HMS3655B05; HMS3884K16; Pharmakon1600-01500400; 5-Benzofuranacrylic acid; 6-hydroxy-7-methoxy-; .delta.-lactone; BCP28212; Tox21_110432; Tox21_201767; Tox21_302816; 8-Methoxypsoralen;Xanthotoxin;8-MOP; BDBM50041234; CCG-36366; NSC757114; s1952; STK735539; WLN: T C566 DO LVOJ BO1; 8-Methoxypsoralen; analytical standard; AKOS000277012; Tox21_110432_1; 9-Methoxy-furo[3;2-g]chromen-7-one; AC-4259; AM84906; CS-1983; DB00553; DS-5159; NC00652; NSC-757114; SDCCGMLS-0042377.P002; IDI1_000763; 8-methoxy-2;3;6;7-furocoumarin; 8-methoxy-4;5:6;7-furocoumarin; NCGC00016418-01; NCGC00016418-02; NCGC00016418-03; NCGC00016418-04; NCGC00016418-05; NCGC00016418-06; NCGC00016418-08; NCGC00016418-09; NCGC00016418-10; NCGC00016418-11; NCGC00016418-12; NCGC00016418-14; NCGC00016418-15; NCGC00060938-02; NCGC00060938-03; NCGC00060938-04; NCGC00060938-05; NCGC00060938-06; NCGC00178871-01; NCGC00178871-02; NCGC00178871-03; NCGC00256435-01; NCGC00259316-01; HY-30151; NCI60_004085; 8-Methoxy(furano-3;2:6;7-coumarin); SBI-0051443.P003; NS00004875; SW167762-4; 8-methoxy-[furano-3.2:6.7-coumarin]; 9-Methoxy-7H-furo[3;2-g]chromen-7-one #; EN300-52504; C01864; D00139; AB00052042-14; AB00052042-15; AB00052042_16; AB00052042_17; A820092; Q408570; Q-100381; SR-01000629727-2; SR-01000629727-4; BRD-K63430059-001-03-2; BRD-K63430059-001-06-5; BRD-K63430059-001-09-9; Z754918916; Methoxsalen; United States Pharmacopeia (USP) Reference Standard; 5-BENZOFURANACRYLIC ACIDE; 6-HYDROXY-7-METHOXY-; DELTA-LACTONE; 12692-94-3]

InChI Key

QXKHYNVANLEOEG-UHFFFAOYSA-N

InChI

InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3

IUPAC Name

9-methoxyfuro[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

24 26 0 0 0 0 0 0 0 0999 V2000
1.0572 3.0826 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5097 1.7719 0.6091 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8255 0.575...

Download SDF File (2095 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

17.1% 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

2.5478

Complexity

58.808

TPSA (Å²)

52.58

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