DICL_CP_0319830 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0319830

PubChem CID

72303

Molecular Formula

C₁₈H₁₈O₂

Molecular Weight

266.34 g/mol

Synonyms/Alias

[Honokiol; 35354-74-6; 53-Diallyl-24-dihydroxybiphenyl; NSC 293100; 35-Diallyl-42-dihydroxybiphenyl; 35-Diallylbiphenyl-24-diol; C18H18O2; 35-diallyl-24-biphenyldiol; CPD000387107; CHEMBL16901; 2-(4-h...[Honokiol; 35354-74-6; 53-Diallyl-24-dihydroxybiphenyl; NSC 293100; 35-Diallyl-42-dihydroxybiphenyl; 35-Diallylbiphenyl-24-diol; C18H18O2; 35-diallyl-24-biphenyldiol; CPD000387107; CHEMBL16901; 2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol; CHEBI:5759; 4-allyl-2-(3-allyl-4-hydroxy-phenyl)phenol; 11513CCO0N; 2-[4-hydroxy-3-(prop-2-en-1-yl)phenyl]-4-(prop-2-en-1-yl)phenol; 53-Diallyl-biphenyl-24-diol; MFCD00016674; NSC293100; [11-Biphenyl]-24-diol; 35-di-2-propenyl-; 35-Di-2-propen-1-yl[11-biphenyl]-24-diol; NSC-293100; 2-(4-hydroxy-3-prop-2-enyl-phenyl)- 4-prop-2-enyl-phenol; (1P)-35-di(prop-2-en-1-yl)[11-biphenyl]-24-diol; 35-(55-)Diallyl-[11-biphenyl]-24-(22-)diol; Honokiol(S); SMR000387107; 35-di(prop-2-en-1-yl)biphenyl-24-diol; Purinol; (11-BIPHENYL)-24-DIOL; 35-DI-2-PROPENYL-; UNII-11513CCO0N; Honokiol?; -dihydroxydiphenyl; 35-diallyl-[11-biphenyl]-24-diol; Honokiol; HO; 35-Di-2-propen-1-yl-[11-biphenyl]-24-diol; [11-Biphenyl]-24-diol; 35-di-2-propenyl- (9CI); 35-Diallyl-24-biphenyldiol; Honokiol; NSC 293100; 53′ Honokiol - 95%; -Diallyl-24′ FMLT BSASM H; HONOKIOL [MI]; HONOKIOL [WHO-DD]; Honokiol; analytical standard; cid_72303; MLS000759481; MLS001048916; MLS001423980; MLS006011755; SCHEMBL133034; REGID_for_CID_72303; GTPL11610; DTXSID30188845; 31-biphenyl)-24-diol; HMS2051C12; HMS2271J07; HMS3393C12; HMS3656G03; (11-BIPHENYL)-24-DIOL; 35-DI-2-PROPEN-1-YL-; AMY40657; BCP28282; HY-N0003; AC-486; BBL027819; BDBM50157304; HB0328; s2310; STK801954; 35-diallylbiphenyl-24-diol; Honokiol; >=98% (HPLC); powder; 35-diallyl-24-dihydroxybiphenyl; AKOS005622639; 35-Diallyl-24-dihydroxybiphenyl; CCG-100864; CS-1696; NC00114; 53-Diallyl-biphenyl-24-diol; SMP2_000040; NCGC00163567-01; NCGC00163567-02; NCGC00163567-03; NCGC00163567-08; AS-15333; XH163752; 53-Diallyl-biphenyl-24-diol; H1309; NS00011726; SW197494-3; EN300-7399522; A822747; SR-01000758208; Q-100425; Q5896650; SR-01000758208-5; {11-Biphenyl]-24-diol; 35-di-2-propenyl-; 35-di-2-propenyl-11-biphenyl-24-diol; BRD-K98493452-001-01-6; Honokiol; European Pharmacopoeia (EP) Reference Standard; Z2065671480; [11-Biphenyl]-24-diol; 35-di-2-propen-1-yl; 4-[2-hydroxy-5-(prop-2-en-1-yl)phenyl]-2-(prop-2-en-1-yl)phenol; InChI=1/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-47-1219-20H1-25-6H; N-[[4-([124]Triazolo[15-a]pyridin-6-yl)-5-(6-methylpyridin-2-yl)-1H-imidazol-2-yl]methyl]-2-fluoroaniline; N-(2-Fluorophenyl)-5-(6-methyl-2-pyridinyl)-4-[124]triazolo[15-a]pyridin-6-yl-1H-imidazole-2-methanamine; Y4T]

InChI Key

FVYXIJYOAGAUQK-UHFFFAOYSA-N

InChI

InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6...

IUPAC Name

2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol

CAS Number

548-04-9

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

38 39 0 0 0 0 0 0 0 0999 V2000
-4.6016 1.6148 1.5970 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6240 2.2910 0.9865 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3804 2.165...

Download SDF File (3244 bytes)

Experimental Data

Activity Data

Target Ion Channel

ATP sensitive inward rectifier potassium channel 1

Uniprot Accession Number

O88335

Function

Inhibitor

Species

Mus musculus (Mouse)

IC₅₀

IC₅₀: 6570 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 7.2

Holding Potential

−100 mV mV

Temperature

22–25 °C

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/s11064-017-2440-4

URL

N/A (Not available)

PMID

29177805

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

4.2218

Complexity

83.0096

TPSA (Å²)

40.46

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