NP-MRD: Showing NP-Card for 4-O-Methylsappanol (NP0063350)

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Record Information

Version

2.0

Created at

2022-04-28 07:46:59 UTC

Updated at

2022-04-28 07:47:00 UTC

NP-MRD ID

NP0063350

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-O-Methylsappanol

Description

4-O-methylsappanol belongs to the class of organic compounds known as homoisoflavans. These are homoisoflavonoids with a structure based on the chromane system. Chromone is a bicyclic compound consisting of a 3,4-dihydro-1-benzopyran. 4-O-Methylsappanol is found in Alpinia japonica, Caesalpinia sappan and Caesalpinia decapetala . 4-O-Methylsappanol was first documented in 2003 (PMID: 12946725). Based on a literature review a small amount of articles have been published on 4-O-methylsappanol (PMID: 23154842) (PMID: 21853494) (PMID: 19420770).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 41 43  0  0  0  0  0  0  0  0999 V2000
   -0.9679    3.1825    1.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0862    2.2680    0.1884 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2614    0.9961    0.6745 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5349    0.4172    0.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5279    1.2531   -0.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6984    0.6811   -0.7315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8800   -0.6884   -0.7679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0803   -1.1849   -1.2481 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8537   -1.4967   -0.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6542   -0.9554    0.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6143   -1.7204    0.6053 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2841   -1.2727    0.7399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0903    0.1327    0.2586 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1203    0.0893   -1.1472 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1633    0.7602    0.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3842   -0.0186    0.4145 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8478   -0.9984    1.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9882   -1.7414    0.9570 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777   -1.5207   -0.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8235   -2.2811   -0.4873 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2295   -0.5444   -1.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9541   -0.3433   -2.2296 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0949    0.1912   -0.7489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8255    4.2027    0.7785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1104    2.9795    1.8935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9018    3.1872    1.8601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2550    1.0284    1.7943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3626    2.3219   -0.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4747    1.3668   -1.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3168   -2.1472   -1.3186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9761   -2.5752   -0.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0095   -1.3356    1.8252 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3679   -1.9974    0.2139 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6294   -0.4022   -1.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0583    0.8839    1.8665 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2915    1.7996    0.3559 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3565   -1.2202    2.1828 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3134   -2.5040    1.6633 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3330   -2.1229   -1.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6256    0.3858   -2.8836 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7473    0.9436   -1.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  6
 13 15  1  0
 15 16  1  0
 16 23  2  0
 23 21  1  0
 21 22  1  0
 21 19  2  0
 19 20  1  0
 19 18  1  0
 18 17  2  0
 13  3  1  0
 17 16  1  0
 10  4  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  3 27  1  1
  5 28  1  0
  6 29  1  0
  8 30  1  0
  9 31  1  0
 12 32  1  0
 12 33  1  0
 14 34  1  0
 15 35  1  0
 15 36  1  0
 23 41  1  0
 22 40  1  0
 20 39  1  0
 18 38  1  0
 17 37  1  0
M  END


  Mrv1652304282209472D          

 23 25  0  0  1  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9679   -1.2663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4051   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0178    0.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4550    0.8614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2795    0.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6668    0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2296   -0.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7166    1.5323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0676    1.5899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5806   -1.9371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
  9 13  1  6  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
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
  9 22  1  1  0  0  0
  1 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0063350

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CO[C@H]1C2=CC=C(O)C=C2OC[C@]1(O)CC1=CC(O)=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C17H18O6/c1-22-16-12-4-3-11(18)7-15(12)23-9-17(16,21)8-10-2-5-13(19)14(20)6-10/h2-7,16,18-21H,8-9H2,1H3/t16-,17+/m0/s1

> <INCHI_KEY>
HHDPKXQKOWHDNA-DLBZAZTESA-N

> <FORMULA>
C17H18O6

> <MOLECULAR_WEIGHT>
318.325

> <EXACT_MASS>
318.1103383

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
32.516095202307504

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(3R,4S)-3-[(3,4-dihydroxyphenyl)methyl]-4-methoxy-3,4-dihydro-2H-1-benzopyran-3,7-diol

> <ALOGPS_LOGP>
1.22

> <JCHEM_LOGP>
1.9754655423333332

> <ALOGPS_LOGS>
-3.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.716478717380856

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.114732188728262

> <JCHEM_PKA_STRONGEST_BASIC>
-3.758049758907913

> <JCHEM_POLAR_SURFACE_AREA>
99.38000000000001

> <JCHEM_REFRACTIVITY>
82.95190000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.08e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3R,4S)-3-[(3,4-dihydroxyphenyl)methyl]-4-methoxy-2,4-dihydro-1-benzopyran-3,7-diol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       2.667  -0.000   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.540  -2.364   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.356  -1.058   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.633   0.302   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.449   1.608   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.988   1.554   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.711   0.194   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.895  -1.111   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       8.804   2.860   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       5.726   2.968   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       4.817  -3.616   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
CONECT    1    2    6   23                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   10                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   13   22                                             
CONECT   10    9    4   11                                                  
CONECT   11   10   12                                                       
CONECT   12   11                                                            
CONECT   13    9   14                                                       
CONECT   14   13   15   19                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   21                                                  
CONECT   17   16   18   20                                                  
CONECT   18   17   19                                                       
CONECT   19   18   14                                                       
CONECT   20   17                                                            
CONECT   21   16                                                            
CONECT   22    9                                                            
CONECT   23    1                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₇H₁₈O₆

Average Mass

318.3250 Da

Monoisotopic Mass

318.11034 Da

IUPAC Name

(3R,4S)-3-[(3,4-dihydroxyphenyl)methyl]-4-methoxy-3,4-dihydro-2H-1-benzopyran-3,7-diol

Traditional Name

(3R,4S)-3-[(3,4-dihydroxyphenyl)methyl]-4-methoxy-2,4-dihydro-1-benzopyran-3,7-diol

CAS Registry Number

Not Available

SMILES

CO[C@H]1C2=CC=C(O)C=C2OC[C@]1(O)CC1=CC(O)=C(O)C=C1

InChI Identifier

InChI=1S/C17H18O6/c1-22-16-12-4-3-11(18)7-15(12)23-9-17(16,21)8-10-2-5-13(19)14(20)6-10/h2-7,16,18-21H,8-9H2,1H3/t16-,17+/m0/s1

InChI Key

HHDPKXQKOWHDNA-DLBZAZTESA-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
Alpinia japonica	LOTUS Database	35616633
Biancaea sappan	Plant	KNApSAcK
Caesalpinia decapetala	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as homoisoflavans. These are homoisoflavonoids with a structure based on the chromane system. Chromone is a bicyclic compound consisting of a 3,4-dihydro-1-benzopyran.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Homoisoflavonoids

Sub Class

Homoisoflavans

Direct Parent

Homoisoflavans

Alternative Parents

Substituents

Homoisoflavan
Chromane
Benzopyran
1-benzopyran
Catechol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Phenol
Monocyclic benzene moiety
Benzenoid
Tertiary alcohol
Oxacycle
Organoheterocyclic compound
Dialkyl ether
Ether
Alcohol
Organic oxygen compound
Organooxygen compound
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic 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	1.22	ALOGPS
logP	1.98	ChemAxon
logS	-3.2	ALOGPS
pKa (Strongest Acidic)	9.11	ChemAxon
pKa (Strongest Basic)	-3.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	99.38 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	82.95 m³·mol⁻¹	ChemAxon
Polarizability	32.52 Å³	ChemAxon
Number of Rings	3	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

C00020152

Chemspider ID

10404377

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

13888973

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Mitani K, Takano F, Kawabata T, Allam AE, Ota M, Takahashi T, Yahagi N, Sakurada C, Fushiya S, Ohta T: Suppression of melanin synthesis by the phenolic constituents of sappanwood (Caesalpinia sappan). Planta Med. 2013 Jan;79(1):37-44. doi: 10.1055/s-0032-1327897. Epub 2012 Nov 15. [PubMed:23154842 ]
Xu P, Guan S, Feng R, Tang R, Guo D: Separation of four homoisoflavonoids from Caesalpinia sappan by high-speed counter-current chromatography. Phytochem Anal. 2012 May-Jun;23(3):228-31. doi: 10.1002/pca.1347. Epub 2011 Aug 18. [PubMed:21853494 ]
Jeong GS, Lee DS, Kwon TO, Lee HS, An RB, Kim YC: Cytoprotective constituents of the heartwood of Caesalpinia sappan on glutamate-induced oxidative damage in HT22 cells. Biol Pharm Bull. 2009 May;32(5):945-9. doi: 10.1248/bpb.32.945. [PubMed:19420770 ]
Niranjan Reddy VL, Ravikanth V, Jansi Lakshmi VV, Suryanarayan Murty U, Venkateswarlu Y: Inhibitory activity of homoisoflavonoids from Caesalpinia sappan against Beauveria bassiana. Fitoterapia. 2003 Sep;74(6):600-2. doi: 10.1016/s0367-326x(03)00153-9. [PubMed:12946725 ]

Showing NP-Card for 4-O-Methylsappanol (NP0063350)

MOL for NP0063350 (4-O-Methylsappanol)

3D MOL for NP0063350 (4-O-Methylsappanol)

3D SDF for NP0063350 (4-O-Methylsappanol)

3D-SDF for NP0063350 (4-O-Methylsappanol)

PDB for NP0063350 (4-O-Methylsappanol)

3D PDB for NP0063350 (4-O-Methylsappanol)

SMILES for NP0063350 (4-O-Methylsappanol)

INCHI for NP0063350 (4-O-Methylsappanol)

Structure for NP0063350 (4-O-Methylsappanol)

3D Structure for NP0063350 (4-O-Methylsappanol)