NP-MRD: Showing NP-Card for Embelin (NP0051613)

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Record Information

Version

2.0

Created at

2022-04-27 22:54:45 UTC

Updated at

2022-04-27 22:54:45 UTC

NP-MRD ID

NP0051613

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Embelin

Description

Embelin, also known as embelic acid or embelate, belongs to the class of organic compounds known as p-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 4-positions, respectively. Embelin is found in Aegiceras corniculatum, Apis cerana, Ardisia colorata, Ardisia crenata , Ardisia japonica, Ardisia oxyphylla, Embelia ribes , Embelia schimperi, Embelia tsjeriam-cottam, Lysimachia punctata, Myrsine africana , Myrsine melanophloeos, Myrsine seguinii, Myrsine umbellata, Rapanea laetevirens and Rapanea spp.. Embelin was first documented in 2000 (PMID: 11054840). Embelin is an extremely weak basic (essentially neutral) compound (based on its pKa) (PMID: 12963150) (PMID: 15890461) (PMID: 17124632).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 47 47  0  0  0  0  0  0  0  0999 V2000
    7.1325   -0.8309   -0.6877 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5650   -0.4913    0.6645 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0903   -0.8545    0.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3822   -0.0685   -0.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9067   -0.4358   -0.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2445   -0.1361    0.9857 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7890   -0.5344    0.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0102    0.1815   -0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4754   -0.2366   -0.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1443    0.0535    1.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5736   -0.3128    1.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5367    0.2656    0.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3591    1.2176    0.8209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2458    1.6045    2.1429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3642    1.8570   -0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1268    2.7549    0.4216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5039    1.4597   -1.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7117    0.5210   -1.8770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8352    0.1314   -3.2004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6930   -0.1205   -1.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9792   -1.0057   -1.5197 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1921   -1.1250   -0.5523 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5619   -1.6726   -1.1258 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1371    0.0696   -1.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6769    0.5929    0.8084 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1047   -1.0767    1.4223 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7219   -0.5580    1.7358 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9113   -1.9197    0.5596 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792    1.0343   -0.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8044   -0.3098   -1.3367 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4267    0.1678   -1.1322 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7918   -1.4997   -0.6156 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7330   -0.7188    1.8049 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3202    0.9599    1.2115 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7940   -1.6517    0.7662 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3763   -0.4037    1.9741 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4674   -0.0836   -1.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0455    1.2622    0.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9148    0.4834   -0.8967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4753   -1.2704   -0.4673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5938   -0.5698    1.9315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9313    1.1003    1.4856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8385   -0.0723    2.3822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6369   -1.4359    1.2936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3100    2.5419    2.4703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2450    1.9203   -2.0589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1705   -0.7845   -3.4923 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  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 20 12  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  0
  3 28  1  0
  4 29  1  0
  4 30  1  0
  5 31  1  0
  5 32  1  0
  6 33  1  0
  6 34  1  0
  7 35  1  0
  7 36  1  0
  8 37  1  0
  8 38  1  0
  9 39  1  0
  9 40  1  0
 10 41  1  0
 10 42  1  0
 11 43  1  0
 11 44  1  0
 14 45  1  0
 17 46  1  0
 19 47  1  0
M  END


  Mrv0541 05041403262D          

 21 21  0  0  0  0            999 V2000
    3.5724    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    5.7750    0.0000 C   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
    5.7158    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  2  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 13  2  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  2  0  0  0  0
 20 16  2  0  0  0  0
 21 17  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0051613

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3

> <INCHI_KEY>
IRSFLDGTOHBADP-UHFFFAOYSA-N

> <FORMULA>
C17H26O4

> <MOLECULAR_WEIGHT>
294.3859

> <EXACT_MASS>
294.18310932

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
34.360065153816976

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione

> <ALOGPS_LOGP>
4.15

> <JCHEM_LOGP>
4.8280355880000005

> <ALOGPS_LOGS>
-4.61

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.17146051642547

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.863080437337704

> <JCHEM_PKA_STRONGEST_BASIC>
-4.150606641108564

> <JCHEM_POLAR_SURFACE_AREA>
74.6

> <JCHEM_REFRACTIVITY>
85.33069999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.27e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
embelin

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-MAY-14   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-MAY-14         0                                  
HETATM    1  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   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  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   13                                                       
CONECT   12   14   15                                                       
CONECT   13   11   16   17                                                  
CONECT   14   12   16   18                                                  
CONECT   15   12   17   19                                                  
CONECT   16   13   14   20                                                  
CONECT   17   13   15   21                                                  
CONECT   18   14                                                            
CONECT   19   15                                                            
CONECT   20   16                                                            
CONECT   21   17                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   42    0
END

View in JSmol

Synonyms

Value	Source
2,5-Dihydroxy-3-undecyl-1,4-benzoquinone	ChEBI
Embelic acid	ChEBI
Emberine	ChEBI
Embelate	Generator
Potassium embelate	MeSH

Chemical Formula

C₁₇H₂₆O₄

Average Mass

294.3859 Da

Monoisotopic Mass

294.18311 Da

IUPAC Name

2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione

Traditional Name

embelin

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O

InChI Identifier

InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3

InChI Key

IRSFLDGTOHBADP-UHFFFAOYSA-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
Aegiceras corniculatum	Plant	KNApSAcK
Apis cerana	LOTUS Database	35616633
Ardisia colorata	Plant	KNApSAcK
Ardisia crenata	Plant	KNApSAcK
Ardisia japonica	LOTUS Database	35616633
Ardisia oxyphylla	LOTUS Database	35616633
Embelia ribes	Plant	KNApSAcK
Embelia schimperi	LOTUS Database	35616633
Embelia tsjeriam-cottam	LOTUS Database	35616633
Lysimachia punctata	LOTUS Database	35616633
Myrsine africana	Plant	KNApSAcK
Myrsine melanophloeos	LOTUS Database	35616633
Myrsine seguinii	LOTUS Database	35616633
Myrsine umbellata	LOTUS Database	35616633
Rapanea laetevirens	Plant	KNApSAcK
Rapanea spp.	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as p-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 4-positions, respectively.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbonyl compounds

Direct Parent

P-benzoquinones

Alternative Parents

Substituents

P-benzoquinone
Vinylogous acid
Enol
Organic oxide
Hydrocarbon derivative
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

hydroxybenzoquinone (CHEBI:4778 )

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	4.15	ALOGPS
logP	4.83	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	7.86	ChemAxon
pKa (Strongest Basic)	-4.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	74.6 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	85.33 m³·mol⁻¹	ChemAxon
Polarizability	34.36 Å³	ChemAxon
Number of Rings	1	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

C00002822

Chemspider ID

Not Available

KEGG Compound ID

C10342

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

3218

PDB ID

Not Available

ChEBI ID

4778

Good Scents ID

Not Available

References

General References

Hussein G, Miyashiro H, Nakamura N, Hattori M, Kakiuchi N, Shimotohno K: Inhibitory effects of sudanese medicinal plant extracts on hepatitis C virus (HCV) protease. Phytother Res. 2000 Nov;14(7):510-6. doi: 10.1002/1099-1573(200011)14:7<510::aid-ptr646>3.0.co;2-b. [PubMed:11054840 ]
Feresin GE, Tapia A, Sortino M, Zacchino S, de Arias AR, Inchausti A, Yaluff G, Rodriguez J, Theoduloz C, Schmeda-Hirschmann G: Bioactive alkyl phenols and embelin from Oxalis erythrorhiza. J Ethnopharmacol. 2003 Oct;88(2-3):241-7. doi: 10.1016/s0378-8741(03)00258-7. [PubMed:12963150 ]
Podolak I, Galanty A, Janeczko Z: Cytotoxic activity of embelin from Lysimachia punctata. Fitoterapia. 2005 Jun;76(3-4):333-5. doi: 10.1016/j.fitote.2005.02.006. [PubMed:15890461 ]
Latha C: Microwave-assisted extraction of embelin from Embelia ribes. Biotechnol Lett. 2007 Feb;29(2):319-22. doi: 10.1007/s10529-006-9243-z. Epub 2006 Nov 24. [PubMed:17124632 ]

Showing NP-Card for Embelin (NP0051613)

MOL for NP0051613 (Embelin)

3D MOL for NP0051613 (Embelin)

3D SDF for NP0051613 (Embelin)

3D-SDF for NP0051613 (Embelin)

PDB for NP0051613 (Embelin)

3D PDB for NP0051613 (Embelin)

SMILES for NP0051613 (Embelin)

INCHI for NP0051613 (Embelin)

Structure for NP0051613 (Embelin)

3D Structure for NP0051613 (Embelin)