NP-MRD: Showing NP-Card for 3-Hydroxy-5-methoxystilbene (NP0051663)

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Record Information

Version

2.0

Created at

2022-04-27 22:56:44 UTC

Updated at

2022-04-27 22:56:44 UTC

NP-MRD ID

NP0051663

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-Hydroxy-5-methoxystilbene

Description

3-Methoxy-5-[(E)-2-phenylethenyl]phenol, also known as 5-methoxy-3-stilbenol, belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. Thus, 3-methoxy-5-[(e)-2-phenylethenyl]phenol is considered to be an aromatic polyketide lipid molecule. 3-Methoxy-5-phenol is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 1,3-dimethoxy-5-(2-phenylethenyl)benzene. It is generated by cyp1a2, cyp2a6, cyp2c9, cyp2c19, cyp2d6, and cyp2e1 enzymes via an o-dealkylation reaction. 3-Methoxy-5-[(E)-2-phenylethenyl]phenol is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. 3-Hydroxy-5-methoxystilbene is found in Alnus crispa, Alnus sieboldiana, Cryptocarya idenburgensis, Didymochlaena truncatula, Helichrysum chionosphaerum, Pentzia incana, Phragmipedium longifolium, Pinus albicaulis, Pinus aristata, Pinus armandii , Pinus attenuata, Pinus ayacahuite, Pinus balfouriana, Pinus banksiana , Pinus canariensis, Pinus caribaea , Pinus cembra , Pinus cembroides , Pinus clausa, Pinus contorta , Pinus contorta var. latifolia , Pinus coulteri , Pinus densata, Pinus densiflora , Pinus echinata, Pinus excelsa , Pinus flexilis , Pinus gerardiana , Pinus glabra, Pinus halepensis , Pinus jeffreyi, Pinus khasya , Pinus koraiensis , Pinus krempfii, Pinus leiophylla, Pinus longifolia , Pinus lumholtzii, Pinus massoniana, Pinus montana, Pinus montezumae, Pinus monticola, Pinus morrisonicola, Pinus muricata, Pinus nigra, Pinus occidentalis, Pinus palustris , Pinus parviflora, Pinus pentaphylla, Pinus pinaster , Pinus pinea , Pinus ponderosa, Pinus pumila, Pinus pungens, Pinus radiata, Pinus resinosa, Pinus rigida, Pinus sabiniana , Pinus sibirica, Pinus strobiformis, Pinus strobus, Pinus sylvestris , Pinus taeda, Pinus virginiana, Relhania corymbosa and Swartzia apetala. This o-dealkylation occurs in humans.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 31 32  0  0  0  0  0  0  0  0999 V2000
   -5.4519   -1.3724   -0.3232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0691   -1.5968   -0.4080 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1925   -0.6130   -0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6095    0.6063    0.4832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6904    1.5401    0.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1249    2.7663    1.3572 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3239    1.2600    0.7567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8825    0.0600    0.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5450   -0.2966    0.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5162    0.5137    0.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9169    0.1110    0.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3233   -1.1046   -0.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6759   -1.4500   -0.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6338   -0.5349    0.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2694    0.7176    0.5653 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9327    1.0008    0.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8321   -0.8628   -0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7869   -0.9235    0.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7232   -0.6649   -1.1415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0350   -2.3000   -0.5037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6835    0.8303    0.5692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2592    3.4993    0.6616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6346    2.0064    1.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7925   -1.2732   -0.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2791    1.5067    0.8671 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -1.8387   -0.4776 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9834   -2.4047   -0.6962 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6844   -0.7525   -0.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0280    1.4306    0.8563 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6036    1.9753    1.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5018   -1.8360   -0.4938 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
  8 17  2  0
 17  3  1  0
 16 11  1  0
  1 18  1  0
  1 19  1  0
  1 20  1  0
  4 21  1  0
  6 22  1  0
  7 23  1  0
  9 24  1  0
 10 25  1  0
 12 26  1  0
 13 27  1  0
 14 28  1  0
 15 29  1  0
 16 30  1  0
 17 31  1  0
M  END


  Mrv1652309272007302D          

 17 18  0  0  0  0            999 V2000
10000.019510000.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.733810000.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5873 9998.1523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.159210000.6290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.588610000.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.874210000.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8742 9999.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5886 9998.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.3031 9999.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.303110000.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.880310001.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.165810001.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.451310001.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.451210000.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.165710000.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.880310000.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.3011 9997.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 10  1  0  0  0  0
  8  3  1  0  0  0  0
  6  4  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  2 14  1  0  0  0  0
  3 17  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0051663

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(O)=CC(\C=C\C2=CC=CC=C2)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+

> <INCHI_KEY>
JVIXPWIEOVZVJC-BQYQJAHWSA-N

> <FORMULA>
C15H14O2

> <MOLECULAR_WEIGHT>
226.275

> <EXACT_MASS>
226.099379691

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_POLARIZABILITY>
25.550870865340162

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-methoxy-5-[(E)-2-phenylethenyl]phenol

> <ALOGPS_LOGP>
3.64

> <JCHEM_LOGP>
3.851850264

> <ALOGPS_LOGS>
-4.16

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.884499191516596

> <JCHEM_PKA_STRONGEST_BASIC>
-4.838664480951869

> <JCHEM_POLAR_SURFACE_AREA>
29.46

> <JCHEM_REFRACTIVITY>
69.95690000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.58e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
pinosylvin methyl ether

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  C   UNK     0    8666.7038667.841   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8668.0368667.070   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0    8664.0308663.218   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0    8661.3648667.841   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0    8664.0328667.839   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8662.6998667.069   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8662.6998665.529   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8664.0328664.759   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8665.3668665.529   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8665.3668667.069   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8672.0438669.382   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8670.7098670.152   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8669.3768669.382   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8669.3768667.842   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8670.7098667.072   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8672.0438667.842   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8665.3628662.445   0.000  0.00  0.00           C+0
CONECT    1    2   10                                                       
CONECT    2    1   14                                                       
CONECT    3    8   17                                                       
CONECT    4    6                                                            
CONECT    5    6   10                                                       
CONECT    6    5    7    4                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9    3                                                  
CONECT    9    8   10                                                       
CONECT   10    9    5    1                                                  
CONECT   11   12   16                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15    2                                                  
CONECT   15   14   16                                                       
CONECT   16   15   11                                                       
CONECT   17    3                                                            
MASTER        0    0    0    0    0    0    0    0   17    0   36    0
END

View in JSmol

Synonyms

Value	Source
5-Methoxy-3-stilbenol	Kegg
3-Methoxy-5-[(1E)-2-phenylethenyl]phenol	PhytoBank
(E)-3-Hydroxy-5-methoxystilbene	PhytoBank
5-Hydroxy-3-monomethoxy-trans-stilbene	PhytoBank
3-Hydroxy-5-methoxystilbene	PhytoBank
Pinosylvin 3-(methyl ether)	PhytoBank
Pinosylvin methyl ether	PhytoBank

Chemical Formula

C₁₅H₁₄O₂

Average Mass

226.2750 Da

Monoisotopic Mass

226.09938 Da

IUPAC Name

3-methoxy-5-[(E)-2-phenylethenyl]phenol

Traditional Name

pinosylvin methyl ether

CAS Registry Number

Not Available

SMILES

COC1=CC(O)=CC(\C=C\C2=CC=CC=C2)=C1

InChI Identifier

InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+

InChI Key

JVIXPWIEOVZVJC-BQYQJAHWSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Alnus crispa	Plant	KNApSAcK
Alnus sieboldiana	Plant	KNApSAcK
Cryptocarya idenburgensis	Plant	KNApSAcK
Didymochlaena truncatula	LOTUS Database	35616633
Helichrysum chionosphaerum	LOTUS Database	35616633
Pentzia incana	LOTUS Database	35616633
Phragmipedium longifolium	LOTUS Database	35616633
Pinus albicaulis	Plant	KNApSAcK
Pinus aristata	Plant	KNApSAcK
Pinus armandii	Plant	KNApSAcK
Pinus attenuata	Plant	KNApSAcK
Pinus ayacahuite	Plant	KNApSAcK
Pinus balfouriana	Plant	KNApSAcK
Pinus banksiana	Plant	KNApSAcK
Pinus canariensis	Plant	KNApSAcK
Pinus caribaea	Plant	KNApSAcK
Pinus cembra	Plant	KNApSAcK
Pinus cembroides	Plant	KNApSAcK
Pinus clausa	Plant	KNApSAcK
Pinus contorta	Plant	KNApSAcK
Pinus contorta var. latifolia	Plant	KNApSAcK
Pinus coulteri	Plant	KNApSAcK
Pinus densata	Plant	KNApSAcK
Pinus densiflora	Plant	KNApSAcK
Pinus echinata	Plant	KNApSAcK
Pinus excelsa	Plant	KNApSAcK
Pinus flexilis	Plant	KNApSAcK
Pinus gerardiana	Plant	KNApSAcK
Pinus glabra	Plant	KNApSAcK
Pinus halepensis	Plant	KNApSAcK
Pinus jeffreyi	Plant	KNApSAcK
Pinus khasya	Plant	KNApSAcK
Pinus koraiensis	Plant	KNApSAcK
Pinus krempfii	Plant	KNApSAcK
Pinus leiophylla	Plant	KNApSAcK
Pinus longifolia	Plant	KNApSAcK
Pinus lumholtzii	Plant	KNApSAcK
Pinus massoniana	Plant	KNApSAcK
Pinus montana	Plant	KNApSAcK
Pinus montezumae	Plant	KNApSAcK
Pinus monticola	Plant	KNApSAcK
Pinus morrisonicola	Plant	KNApSAcK
Pinus muricata	Plant	KNApSAcK
Pinus nigra	Plant	KNApSAcK
Pinus occidentalis	Plant	KNApSAcK
Pinus palustris	Plant	KNApSAcK
Pinus parviflora	Plant	KNApSAcK
Pinus pentaphylla	Plant	KNApSAcK
Pinus pinaster	Plant	KNApSAcK
Pinus pinea	Plant	KNApSAcK
Pinus ponderosa	Plant	KNApSAcK
Pinus pumila	Plant	KNApSAcK
Pinus pungens	Plant	KNApSAcK
Pinus radiata	Plant	KNApSAcK
Pinus resinosa	Plant	KNApSAcK
Pinus rigida	Plant	KNApSAcK
Pinus sabiniana	Plant	KNApSAcK
Pinus sibirica	Plant	KNApSAcK
Pinus strobiformis	LOTUS Database	35616633
Pinus strobus	Plant	KNApSAcK
Pinus sylvestris	Plant	KNApSAcK
Pinus taeda	Plant	KNApSAcK
Pinus virginiana	Plant	KNApSAcK
Relhania corymbosa	LOTUS Database	35616633
Swartzia apetala	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Stilbenes

Sub Class

Not Available

Direct Parent

Stilbenes

Alternative Parents

Substituents

Stilbene
Methoxyphenol
Phenoxy compound
Anisole
Methoxybenzene
Styrene
Phenol ether
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Phenol
Benzenoid
Monocyclic benzene moiety
Ether
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

stilbenoid (CHEBI:8227 )
Diphenyl ethers, biphenyls, dibenzyls and stilbenes (C10276 )
Stilbenes (C10276 )
Diphenyl ethers, biphenyls, dibenzyls and stilbenes (LMPK13090013 )

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	3.64	ALOGPS
logP	3.85	ChemAxon
logS	-4.2	ALOGPS
pKa (Strongest Acidic)	8.88	ChemAxon
pKa (Strongest Basic)	-4.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	29.46 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	69.96 m³·mol⁻¹	ChemAxon
Polarizability	25.55 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0130984

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00002898

Chemspider ID

4445035

KEGG Compound ID

C10276

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5281719

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for 3-Hydroxy-5-methoxystilbene (NP0051663)

MOL for NP0051663 (3-Hydroxy-5-methoxystilbene)

3D MOL for NP0051663 (3-Hydroxy-5-methoxystilbene)

3D SDF for NP0051663 (3-Hydroxy-5-methoxystilbene)

3D-SDF for NP0051663 (3-Hydroxy-5-methoxystilbene)

PDB for NP0051663 (3-Hydroxy-5-methoxystilbene)

3D PDB for NP0051663 (3-Hydroxy-5-methoxystilbene)

SMILES for NP0051663 (3-Hydroxy-5-methoxystilbene)

INCHI for NP0051663 (3-Hydroxy-5-methoxystilbene)

Structure for NP0051663 (3-Hydroxy-5-methoxystilbene)

3D Structure for NP0051663 (3-Hydroxy-5-methoxystilbene)