Results for:
PubChem ID: 445154

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

Compound Details

Synonymous names
Resveratol
resveratrol
LUKBXSAWLPMMSZ-OWOJBTEDSA-
LUKBXSAWLPMMSZ-OWOJBTEDSA-N
trans-resveratrol
Resvida
Resveratrol-Supplied by Selleck Chemicals
Resveratrol, analytical standard
Resveratrol, synthetic
Resveratrol, natural
STL
3fts
4jaz
4qer
AC1L9HIC
resveratrol-3-sulfate
CHEMBL165
Resveratrol, trans-
SRT501
(E)-resveratrol
2l98
GTPL8741
Prestwick_619
Resveratrol, E-
Stilbene, 2f
ZINC6787
ARONIS24568
BIK9013
BS0159
CPD-83
GP2549
GP5884
Resveratrol, European Pharmacopoeia (EP) Reference Standard
SCHEMBL19425
BDBM23926
HMDB03747
N1848
PREVENTION 8 (RESVERATROL)
R0071
S1396_Selleck
SGCUT00007
3,4',5-Trihydroxystilbene
3,5,4'-Trihydroxystilbene
AC-727
ACT09778
AN-865
BBC/741
C14H12O3
CR-003
DB02709
LP01111
NC00349
OR46018
R5010_SIGMA
Resveratrol, certified reference material, TraceCERT(R)
RP17549
SRT 501
SRT-501
BCPP000091
C03582
CCRIS 8952
HMS1362H15
HMS1569F17
HMS1792H15
HMS1921N04
HMS1990H15
HMS2052I09
HMS2096F17
HMS2232A18
HMS3263O04
HMS3403H15
HMS3649A20
HSDB 7571
J10118
KUC104385N
N88795
nchembio.140-comp2
SPECTRUM1502223
trans-3,4',5-trihydroxystilbene
3,4',5-Stilbenetriol
34092_RIEDEL
ABP000376
BBL028252
BC202036
BT000308
CID445154
CS-1050
DCL000234
DNC001205
DR000471
DTXSID4031980
KS-5047
LS-2146
NSC327430
Opera_ID_586
OR187497
OR274296
RM-1812
SBB055452
ST057251
STL146386
SY014849
ZB000650
34092_FLUKA
A827984
C059514
CHEBI:27881
CHEBI:45713
nchembio.281-comp10
R 5010
trans-3,4′,5-Trihydroxystilbene
3,4',5-trihydroxy-stilbene
4CN-0696
AB0006623
AJ-08292
AK-39118
API0000480
AX8004672
BR-39118
BSPBio_000435
BSPBio_001114
BSPBio_003461
CC-34242
CCG-38874
CJ-00111
DSSTox_GSID_31980
HY-16561
KB-02515
Q369O8926L
SC-11924
ST2408097
TL8003323
3,4',5-Trihydroxy-trans-stilbene
3,5,4'-Trihydroxy-trans-stilbene
BB_NC-2570
DSSTox_CID_11980
DSSTox_RID_78898
LMPK13090005
MFCD00133799
Prestwick2_000508
Prestwick3_000508
Spectrum5_000552
ZINC00006787
ZX-AS004941
ZX-AT013797
cid_445154
NSC 327430
NSC-327430
REGID_for_CID_6240
Resveratrol, >=99% (HPLC)
to_000079
UNII-Q369O8926L
AKOS005720936
BPBio1_000479
I06-0437
Lopac0_001111
CPD000058206
EU-0101111
FT-0082623
FT-0603427
FT-0654236
IDI1_002152
KSC-10-164
MLS000069735
MLS001055357
MLS001076538
MLS001424228
MLS002207121
MLS002222231
SAM001246888
SMR000058206
trans-Stilbene-3,4',5-triol
(E)-5-(p-Hydroxystyryl)resorcinol
trans-3,4',5 - trihydroxystilbene
REGID_for_CID_445154
Tox21_110257
Tox21_201374
Tox21_303376
Tox21_501111
501-36-0
Resveratrol, Vetec(TM) reagent grade, 98%
MCULE-5678456463
NCGC00015894-02
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
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
AB00052942_31
AB00052942-29
CAS-501-36-0
31100-06-8
SDCCGMLS-0002998.P003
Tox21_110257_1
trans-1,2-(3,4',5-Trihydroxydiphenyl)ethylene
MolPort-002-499-801
CU-01000001503-3
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
(E)-5-(4-Hydroxystyryl)benzene-1,3-diol
5-[2-(4-hydroxyphenyl)vinyl]-1,3-benzenediol
(E)1-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)ethene
BRD-K25591257-001-01-2
BRD-K80738081-001-06-2
BRD-K80738081-001-09-6
BRD-K80738081-001-10-4
BRD-K80738081-001-23-7
Resveratrol|5-[(1E)-2-(4-Hydroxyphenyl)ethenyl]-1,3,benzenediol
(E)-1-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)ethene
(E)-5-(2-(4-hydroxyphenyl)ethenyl)-1,3-benzenediol
(E)-5-[2-(4-Hydroxyphenyl)ethenyl]-1,3-benzenediol
5-[(E)-2-(4-hydroxyphenyl)ethenyl]-1,3-benzenediol
5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
(E)-5-[2-(4-hydroxyphenyl)ethenyl]-1,3-benzendiol
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
5[(E)-2-(4-Hydroxyphenyl)-vinyl]benzene 1,3-diol
5-((1E)-2-(4-Hydroxyphenyl)ethenyl)-1,3-benzenediol
5-[(1E)-2-(4-Hydroxyphenyl)ethenyl]-1,3-benzenediol
5-[(1E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
5-[(E)-2-(4-Hydroxyphenyl)vinyl]-1,3-benzoldiol
5-[(1E)-2-(4-hydroxyphenyl)vinyl]benzene-1,3-diol
1,3-Benzenediol, 5-[(E)-2-(4-hydroxyphenyl)ethenyl]-
1,3-Benzenediol, 5-[(1E)-2-(4-hydroxyphenyl)ethenyl]-
1,3-Benzenediol, 5-(2-(4-hydroxyphenyl)ethenyl)-, (E)-
533C1DA0-4104-42B5-9D32-9265F40857E4
3,4',5-Trihydroxy-trans-stilbene 5-[(1E)-2-(4-hydroxyphenyl)ethenyl]-1,3-benzenediol
trans-3,5,4'-Trihydroxystilbene3,4',5-Stilbenetrioltrans-Resveratrol(E)-5-(p-Hydroxystyryl)resorcinol(E)-5-(4-hydroxystyryl)benzene-1,3-diol
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=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:

Yes

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
Molweight228.247
LogP3.4
Atoms29
Bonds30
H-bond Acceptor3
H-bond Donor3
Chemical Classificationbenzenoids alcohols alkenes

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
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiInonotus ObliquusnaKoreaKim et al., 2008
FungiSparassis CrispanaKoreaKim et al., 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiInonotus ObliquusnaHPLCYes
FungiSparassis CrispanaHPLCYes