DICL_CP_0314711 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0314711

PubChem CID

445154

Molecular Formula

C₁₄H₁₂O₃

Molecular Weight

228.247 g/mol

Synonyms/Alias

[resveratrol; 501-36-0; trans-resveratrol; 3;4;5-Trihydroxystilbene; (E)-5-(4-Hydroxystyryl)benzene-1;3-diol; 3;5;4-Trihydroxystilbene; (E)-resveratrol; Resvida; 3;4;5-Stilbenetriol; 5-[(E)-2-(4-hydro...[resveratrol; 501-36-0; trans-resveratrol; 3;4;5-Trihydroxystilbene; (E)-5-(4-Hydroxystyryl)benzene-1;3-diol; 3;5;4-Trihydroxystilbene; (E)-resveratrol; Resvida; 3;4;5-Stilbenetriol; 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1;3-diol; 3;4;5-Trihydroxy-trans-stilbene; Biofort; Cuspidatin; 5-[(1E)-2-(4-Hydroxyphenyl)ethenyl]-1;3-benzenediol; SRT-501; (E)-5-(p-Hydroxystyryl)resorcinol; Resveratrol p 5; SRT501; SRT 501; Resveratrol(e)-form; 3;5;4-Trihydroxy-trans-stilbene; Melinjo resveratrol 20; CHEBI:45713; Srt 501m; trans-3;4;5-trihydroxystilbene; 5-[(E)-2-(4-hydroxyphenyl)vinyl]benzene-1;3-diol; NSC 327430; NSC-327430; trans-1;2-(3;4;5-Trihydroxydiphenyl)ethylene; CCRIS 8952; 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1;3-diol; DTXSID4031980; UNII-Q369O8926L; HSDB 7571; Resveratrol (Standard); 5-((1E)-2-(4-Hydroxyphenyl)ethenyl)-1;3-benzenediol; Ca 1201; C14H12O3; 1;3-Benzenediol; 5-(2-(4-hydroxyphenyl)ethenyl)-; (E)-; 1;3-Benzenediol; 5-[(1E)-2-(4-hydroxyphenyl)ethenyl]-; BIA 6-512; BIA-6-512; NSC327430; CHEMBL165; Q369O8926L; (E)-5-[2-(4-hydroxyphenyl)ethenyl]-1;3-benzendiol; MLS000069735; 133294-37-8; DTXCID2011980; CHEBI:27881; trans-3;4;5 - trihydroxystilbene; MFCD00133799; SMR000058206; RESVERATROL (MART.); RESVERATROL [MART.]; 1;3-Benzenediol; 5-((E)-2-(4-hydroxyphenyl)ethenyl)-; Resveratol; TRANS-RESVERATROL (USP-RS); TRANS-RESVERATROL [USP-RS]; 5-((E)-2-(4-HYDROXYPHENYL)-ETHENYL) BENZENE-1;3 DIOL; trans Resveratrol; 3;4;5-trihydroxy-stilbene; Resveratrol; natural; 5-(2-(4-hydroxyphenyl)ethenyl)benzene-1;3-diol; SR-01000000163; 5-((E)-2-(4-hydroxyphenyl)vinyl)benzene-1;3-diol; 1;3-Benzenediol; 5-[(E)-2-(4-hydroxyphenyl)ethenyl]-; Jotrol; 3fts; 4jaz; 4qer; Resveratrol; E-; Resveratrol;(S); KUC104385N; Stilbene; 2f; TaxusChinensisiRehd; NCGC00015894-02; CAS-501-36-0; STL; Prestwick_619; Resveratrol; trans-; (E)-5-(2-(4-hydroxyphenyl)ethenyl)-1;3-benzenediol; KSC-10-164; Resveratrol; synthetic; RM-1812; Opera_ID_586; RESVERATROL [MI]; Prestwick2_000508; Prestwick3_000508; Spectrum5_000552; RESVERATROL [HSDB]; R 5010; RESVERATROL [VANDF]; 1;3-Benzenediol; 5-[(1Z)-2-(4-hydroxyphenyl)ethenyl]-; Lopac0_001111; REGID_for_CID_6240; SCHEMBL19425; BSPBio_000435; BSPBio_001114; BSPBio_003461; RESVERATROL [WHO-DD]; MLS001055357; MLS001076538; MLS001424228; MLS002207121; MLS002222231; SPECTRUM1502223; CU-01000001503-3; BPBio1_000479; cid_445154; GTPL8741; SGCUT00007; Resveratrol; analytical standard; REGID_for_CID_445154; BDBM23926; Resveratrol; >=99% (HPLC); AMY5760; 2l98; BCPP000091; HMS1362H15; HMS1569F17; HMS1792H15; HMS1921N04; HMS1990H15; HMS2052I09; HMS2096F17; HMS2232A18; HMS3263O04; HMS3403H15; HMS3412O14; HMS3649A20; HMS3676O14; BCP01416; to_000079; Tox21_110257; Tox21_201374; Tox21_303376; Tox21_501111; AC-727; BBL028252; CCG-38874; HB4055; HY-16561R; LMPK13090005; s1396; STL146386; AKOS005720936; Tox21_110257_1; CS-1050; DB02709; KS-5047; LP01111; NC00349; SDCCGMLS-0002998.P003; SDCCGSBI-0051080.P003; IDI1_002152; NCGC00017352-05; NCGC00017352-06; NCGC00017352-07; NCGC00017352-08; NCGC00017352-09; NCGC00017352-10; NCGC00017352-11; NCGC00017352-12; NCGC00017352-13; NCGC00017352-14; NCGC00017352-15; NCGC00017352-16; NCGC00017352-17; NCGC00017352-18; NCGC00017352-19; NCGC00017352-24; NCGC00017352-31; NCGC00017352-37; NCGC00017352-39; NCGC00024003-00; NCGC00024003-04; NCGC00024003-05; NCGC00024003-06; NCGC00024003-07; NCGC00024003-08; NCGC00024003-09; NCGC00024003-10; NCGC00024003-11; NCGC00024003-12; NCGC00024003-13; NCGC00024003-14; NCGC00257465-01; NCGC00258925-01; NCGC00261796-01; trans-Resveratrol ; SRT 501; 1ST40018; AS-12413; HY-16561; CS-0694771; EU-0101111; R0071; Resveratrol; Vetec(TM) reagent grade; 98%; SW196786-4; trans [2;5;4-trihydroxydiphenyl] ethylene; C03582; N88795; 5-[2-(4-hydroxyphenyl)vinyl]-1;3-benzenediol; AB00052942-29; AB00052942_31; trans-Resveratrol 100 microg/mL in Acetonitrile; A827984; Q407329; 5-[(E)-2-(4-Hydroxyphenyl)vinyl]-1;3-benzoldiol; SR-01000000163-3; SR-01000000163-4; SR-01000000163-9; 5-[(E)-2-(4-Hydroxyphenyl)ethenyl]benzol-1;3-diol; 5-[(E)-2-(4-Hydroxyphenyl)vinyl]-1;3-benzenediol; 5[(E)-2-(4-Hydroxyphenyl)-vinyl]benzene 1;3-diol; BRD-K25591257-001-01-2; BRD-K80738081-001-06-2; BRD-K80738081-001-07-0; BRD-K80738081-001-09-6; BRD-K80738081-001-10-4; BRD-K80738081-001-23-7; SR-01000000163-10; SR-01000000163-11; SR-01000000163-16; (E)-1-(3;5-dihydroxyphenyl)-2-(4-hydroxyphenyl)ethene; (E)1-(3;5-dihydroxyphenyl)-2-(4-hydroxyphenyl)ethene; 5-((1E)-2-(4-hydroxyphenyl)ethenyl)benzene-1;3-diol; Resveratrol; certified reference material; TraceCERT(R); Resveratrol; European Pharmacopoeia (EP) Reference Standard; 1;3-Benzenediol; 5-(2-(4-hydroxyphenyl)-ethenyl)-; (E)-; 533C1DA0-4104-42B5-9D32-9265F40857E4; trans-Resveratrol; United States Pharmacopeia (USP) Reference Standard; (E)-5-(2-(4-hydroxyphenyl)ethenyl)-1;3-benzenediol(E)-5-(2-(4-hydroxyphenyl)ethenyl)-1;3-benzenediol; 31100-06-8; InChI=1/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9;15-17H/b2-1]

InChI Key

LUKBXSAWLPMMSZ-OWOJBTEDSA-N

InChI

InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+

IUPAC Name

5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol

CAS Number

501-36-0

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

17 18 0 0 0 0 0 0 0 0999 V2000
-2.6743 -1.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1514 -1.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1158 -0...

Download SDF File (1542 bytes)

Experimental Data

Activity Data

Target Ion Channel

Inwardly rectifying subfamily J member 13

Uniprot Accession Number

O70617

Function

Inhibitor

Species

Rattus norvegicus (Rat)

IC₅₀

IC₅₀: 19500 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 7.3

Holding Potential

−70 to 70 mV mV

Temperature

21−23 °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

10.1016/j.brainres.2005.07.013

URL

N/A (Not available)

PMID

16112093

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

2.9738

Complexity

66.8064

TPSA (Å²)

60.69

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