Results for:
PubChem ID: 445154

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

Compound Details

Synonymous names
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
SRT-501
(E)-5-(p-Hydroxystyryl)resorcinol
Resveratrol p 5
SRT501
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]
RESVERATROL [INCI]
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
MCULE-5678456463
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
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
Microorganism:

No

IUPAC name5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
SMILESC1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O
InchiInChI=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+
FormulaC14H12O3
PubChem ID445154
Molweight228.24
LogP3.1
Atoms17
Bonds2
H-bond Acceptor3
H-bond Donor3
Chemical Classificationaromatic compounds phenols benzenoids
CHEBI-ID27881
Supernatural-IDSN0215682-01

mVOC Specific Details

Volatilization
The Henry's Law constant for resveratrol is estimated as 1.4X10-16 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that resveratrol is expected to be essentially nonvolatile from water surfaces(2). Resveratrol's Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to occur(SRC). Resveratrol is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 1.2X10-9 mm Hg(SRC), determined from a fragment constant method(1).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Feb 11, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Solubility
In water, 3 mg/100 mL
Literature: Amri A et al; J Controlled Release 158: 182-193 (2012
Literature: #Soluble in organic solvents such as ethanol, DMSO and dimethyl formamide at approximately 65 mg/mL; solubility in PBS (phosphate buffered saline) at pH 7.2 is approximately 100 ug/mL
Literature: Cayman Chemical; Product Information trans-Resveratrol (CAS 510-36-0). Available from, as of Feb 11, 2014: https://www.caymanchem.com/pdfs/70675.pdf
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of resveratrol can be estimated to be 3.5X10+4(SRC). According to a classification scheme(2), this estimated Koc value suggests that resveratrol is expected to be immobile in soil. Resveratrol has estimated pKa values of 8.99, 9.63 and 10.64(3) indicating that this compound will exist primarily in the neutral form in the environment with the anion form partially existing in alkaline soils and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4).[(1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Feb 11, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Royal Soc Chem; ChemSpider. 5-
Literature: (E)-2-(4-Hydroxyphenyl)vinyl]-1,3-benzenediol. (501-36-0). Available from, Feb 11, 2014: http://www.chemspider.com/Search.aspx (4) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)
Vapor Pressure
PressureReference
1.24X10-9 mm Hg at 25 deg C (est)US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Feb 11, 2014 http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
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Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSparassis CrispanaKoreaKim et al. 2008
EukaryotaInonotus ObliquusnaKoreaKim et al. 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSparassis CrispanaHPLCyes
EukaryotaInonotus ObliquusnaHPLCyes