NP-MRD: Showing NP-Card for Demethoxycurcumin (NP0044152)

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Record Information

Version

1.0

Created at

2021-11-12 23:53:03 UTC

Updated at

2021-11-26 17:46:00 UTC

NP-MRD ID

NP0044152

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Demethoxycurcumin

Description

(1E,4Z,6E)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,4,6-trien-3-one belongs to the class of organic compounds known as curcuminoids. These are aromatic compounds containing a curcumin moiety, which is composed of two aryl buten-2-one (feruloyl) chromophores joined by a methylene group. Demethoxycurcumin is found in Alpinia galanga, Curcuma aromatica , Curcuma mangga , Curcuma xanthorrhiza , Curcuma zedoaria , Etlingera elatior and Zingiber officinale . It was first documented in 2005 (L.Péret-Almeida et al.). Based on a literature review very few articles have been published on (1E,4Z,6E)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,4,6-trien-3-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 43 44  0  0  0  0  0  0  0  0999 V2000
   -7.6213    0.0610    2.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6670    0.2132    1.1989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5546    0.2684    0.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3062    0.1728    0.9766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1695    0.2274    0.1811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8423    0.1278    0.7712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7037    0.1671    0.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4213    0.0585    0.8017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4249   -0.0746    2.0408 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8117    0.1077    0.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9788    0.0130    0.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0017   -0.1358    1.9943 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2262    0.0599   -0.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4097   -0.0329    0.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6881    0.0045   -0.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7811    0.1481   -1.6068 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0243    0.1832   -2.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1776    0.0728   -1.5146 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4431    0.1045   -2.1304 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1056   -0.0721   -0.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8627   -0.1035    0.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3426    0.3775   -1.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6074    0.4748   -1.7562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7244    0.4191   -0.9552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9870    0.5149   -1.5270 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8198    0.6643    3.0647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6066    0.3743    3.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5040   -1.0076    2.8622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1400    0.0547    2.0331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7485    0.0089    1.8533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7285    0.2826   -0.9521 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7567    0.2240   -1.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7565    0.6191    2.6343 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1772    0.1763   -1.2079 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3954   -0.1489    1.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8853    0.2378   -2.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0489    0.2974   -3.3181 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8439    1.0350   -2.2142 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0294   -0.1570    0.4076 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8020   -0.2167    1.5286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5012    0.4261   -1.8372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6701    0.5906   -2.8185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1150    0.6234   -2.5039 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3 24  2  0
 24 25  1  0
 24 23  1  0
 23 22  2  0
 22  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8 10  1  0
 10 11  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 11 12  1  0
  8  9  2  0
  5  4  2  0
  4  3  1  0
 21 15  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
 25 43  1  0
 23 42  1  0
 22 41  1  0
  6 30  1  0
  7 31  1  0
 10 32  1  0
 13 34  1  0
 14 35  1  0
 16 36  1  0
 17 37  1  0
 19 38  1  0
 20 39  1  0
 21 40  1  0
 12 33  1  0
  4 29  1  0
M  END


  Mrv1652311132100532D          

 25 26  0  0  0  0            999 V2000
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 16 22  1  0  0  0  0
 13 23  1  0  0  0  0
 11 24  2  0  0  0  0
  8 25  2  0  0  0  0
  3 25  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0044152

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-13,21-22,24H,1H3/b9-4+,10-5+,17-13-

> <INCHI_KEY>
NMRUIRRIQNAQEB-VEAXOGKZSA-N

> <FORMULA>
C20H18O5

> <MOLECULAR_WEIGHT>
338.359

> <EXACT_MASS>
338.11542368

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
36.891991426355645

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1E,4Z,6E)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,4,6-trien-3-one

> <ALOGPS_LOGP>
3.43

> <JCHEM_LOGP>
3.9167106223333334

> <ALOGPS_LOGS>
-4.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.27485908879374

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.696553852202511

> <JCHEM_PKA_STRONGEST_BASIC>
-4.806441540997021

> <JCHEM_POLAR_SURFACE_AREA>
86.99000000000001

> <JCHEM_REFRACTIVITY>
99.66310000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.47e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1E,4Z,6E)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,4,6-trien-3-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 13-NOV-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   13-NOV-21         0                                  
HETATM    1  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       8.002  -7.700   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       8.002  -9.240   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.336 -10.010   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      10.669  -9.240   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       9.336 -11.550   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.002 -12.320   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.668 -11.550   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.335 -12.320   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001 -11.550   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.667 -12.320   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334 -11.550   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000 -12.320   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.334 -11.550   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.667 -12.320   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -4.001 -11.550   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -5.335 -12.320   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -6.668 -11.550   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -6.668 -10.010   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -8.002  -9.240   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -5.335  -9.240   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -4.001 -10.010   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       0.000 -13.860   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       2.667 -13.860   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       6.668 -10.010   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   25                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   25                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   24                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   23                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   22                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   16                                                       
CONECT   23   13                                                            
CONECT   24   11                                                            
CONECT   25    8    3                                                       
MASTER        0    0    0    0    0    0    0    0   25    0   52    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₁₈O₅

Average Mass

338.3590 Da

Monoisotopic Mass

338.11542 Da

IUPAC Name

(1E,4Z,6E)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,4,6-trien-3-one

Traditional Name

(1E,4Z,6E)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,4,6-trien-3-one

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-13,21-22,24H,1H3/b9-4+,10-5+,17-13-

InChI Key

NMRUIRRIQNAQEB-VEAXOGKZSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 150 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 250 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 175 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 225 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Alpinia galanga	LOTUS Database	35616633
Curcuma aromatica	Plant	KNApSAcK
Curcuma longa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Curcuma mangga	Plant	KNApSAcK
Curcuma xanthorrhiza	Plant	KNApSAcK
Curcuma zedoaria	Plant	KNApSAcK
Etlingera elatior	Plant	KNApSAcK
Zingiber officinale	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as curcuminoids. These are aromatic compounds containing a curcumin moiety, which is composed of two aryl buten-2-one (feruloyl) chromophores joined by a methylene group.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Diarylheptanoids

Sub Class

Linear diarylheptanoids

Direct Parent

Curcuminoids

Alternative Parents

Substituents

Desmethoxycurcumin
Hydroxycinnamic acid or derivatives
Methoxyphenol
Phenoxy compound
Anisole
Methoxybenzene
Styrene
Phenol ether
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Phenol
Monocyclic benzene moiety
Benzenoid
Acryloyl-group
Vinylogous acid
Enone
Alpha,beta-unsaturated ketone
Ketone
Enol
Ether
Organic oxide
Organic oxygen compound
Carbonyl group
Hydrocarbon derivative
Organooxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

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	3.43	ALOGPS
logP	3.92	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	8.7	ChemAxon
pKa (Strongest Basic)	-4.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	86.99 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	99.66 m³·mol⁻¹	ChemAxon
Polarizability	36.89 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

24534768

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

L.Péret-Almeida et al. (2005). Separation and determination of the physico-chemical characteristics of curcumin, demethoxycurcumin and bisdemethoxycurcumin. Food Research International, Volume 38, Issues 8–9, October–November 2005, Pages 1039-1044. DOI: 10.1016/j.foodres.2005.02.021. Food Research International.

Showing NP-Card for Demethoxycurcumin (NP0044152)

MOL for NP0044152 (Demethoxycurcumin)

3D MOL for NP0044152 (Demethoxycurcumin)

3D SDF for NP0044152 (Demethoxycurcumin)

3D-SDF for NP0044152 (Demethoxycurcumin)

PDB for NP0044152 (Demethoxycurcumin)

3D PDB for NP0044152 (Demethoxycurcumin)

SMILES for NP0044152 (Demethoxycurcumin)

INCHI for NP0044152 (Demethoxycurcumin)

Structure for NP0044152 (Demethoxycurcumin)

3D Structure for NP0044152 (Demethoxycurcumin)