NP-MRD: Showing NP-Card for Erysodin (NP0062834)

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Record Information

Version

2.0

Created at

2022-04-28 07:23:10 UTC

Updated at

2022-04-28 07:23:10 UTC

NP-MRD ID

NP0062834

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Erysodin

Description

Erysodine belongs to the class of organic compounds known as erythrinanes. These are erythrina alkaloids possessing either a 6-5-6-6-membered indoloisoquinoline core or a derivative thereof. Erysodine is a very strong basic compound (based on its pKa). Outside of the human body, erysodine has been detected, but not quantified in, green vegetables. Erysodin is found in Erythrina abyssinica, Erythrina americana Mill. , Erythrina berteroana, Erythrina bidwillii, Erythrina brucei, Erythrina caffra , Erythrina cochleata, Erythrina coralloides, Erythrina crista-galli L. , Erythrina fusca , Erythrina latissima, Erythrina lysistemon , Erythrina poeppigiana, Erythrina senegalensis , Erythrina smithiana, Erythrina speciosa, Erythrina stricta, Erythrina suberosa , Erythrina variegata, Erythrina variegata Linn. , Erythrina velutina and Erythrina x bidwillii. This could make erysodine a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 43 46  0  0  0  0  0  0  0  0999 V2000
   -2.8101    2.7546   -2.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3189    1.4550   -2.0336 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6718    0.3744   -1.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3969    0.5089   -0.9332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7209   -0.5526   -0.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3566   -1.7703   -0.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6337   -1.9169   -0.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2801   -0.8402   -1.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5684   -0.9466   -2.0201 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7387   -2.9926    0.2124 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5022   -2.6662    0.9365 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3254   -1.6289    0.4394 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7594   -2.0895   -0.8693 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2181   -0.7640   -1.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5693    0.2201   -0.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5906    1.6626   -0.9245 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5691    2.4445    0.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5230    1.6647    1.4414 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8378    1.2661    1.6727 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3597    1.8960    2.7829 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5901    0.5092    1.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6418   -0.3688    0.2016 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2323    3.0790   -1.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6633    3.4654   -2.3155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1782    2.8083   -3.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9785    1.4914   -0.9809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1400   -2.8779   -0.9056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0119   -1.8423   -2.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5072   -3.6680   -0.6373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4587   -3.5496    0.8465 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2165   -2.3844    1.9934 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1106   -3.6025    1.0805 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9457   -2.5069   -1.4616 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5783   -2.8097   -0.8243 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9569   -0.6005   -2.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6327    2.0736   -1.9332 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5840    3.4921    0.0689 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2737    2.3928    2.2406 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7439    1.6407    3.6928 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3688    1.5193    2.9966 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4091    2.9833    2.6625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4801    0.8091    1.5938 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8396   -0.1327    2.2815 H   0  0  0  0  0  0  0  0  0  0  0  0
 20 19  1  0
 19 18  1  0
 18 21  1  0
 22 21  1  1
 22 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 12 11  1  0
 11 10  1  0
 10  6  1  0
  6  5  2  0
  5  4  1  0
  4  3  2  0
  3  2  1  0
  2  1  1  0
  3  8  1  0
  8  9  1  0
  8  7  2  0
 17 18  1  0
  7  6  1  0
 15 22  1  0
  5 22  1  0
 20 39  1  0
 20 40  1  0
 20 41  1  0
 18 38  1  1
 21 42  1  0
 21 43  1  0
 13 33  1  0
 13 34  1  0
 14 35  1  0
 16 36  1  0
 17 37  1  0
 11 31  1  0
 11 32  1  0
 10 29  1  0
 10 30  1  0
  4 26  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  9 28  1  0
  7 27  1  0
M  END


  Mrv0541 02241216322D          

 22 25  0  0  0  0            999 V2000
   -0.3710    1.8377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8260    0.2209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0909   -0.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3710    0.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2741   -0.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2741   -0.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0010   -1.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7290   -0.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7290   -0.1820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5362   -0.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5362    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0010    0.2209    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7290    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7290    1.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0010    1.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2741    1.4336    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2741    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3710   -1.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0909   -0.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8260   -1.3934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1047    1.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5362   -0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  2  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  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
 10 11  1  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  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  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 16  1  1  1  0  0  0
 12  9  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0062834

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CO[C@@H]1C[C@]23N(CC=C2C=C1)CCC1=C3C=C(OC)C(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C18H21NO3/c1-21-14-4-3-13-6-8-19-7-5-12-9-16(20)17(22-2)10-15(12)18(13,19)11-14/h3-4,6,9-10,14,20H,5,7-8,11H2,1-2H3/t14-,18-/m0/s1

> <INCHI_KEY>
BDIVMECULLJBMU-KSSFIOAISA-N

> <FORMULA>
C18H21NO3

> <MOLECULAR_WEIGHT>
299.3642

> <EXACT_MASS>
299.152143543

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
32.520073353057214

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,16R)-4,16-dimethoxy-10-azatetracyclo[8.7.0.0¹,¹³.0²,⁷]heptadeca-2(7),3,5,12,14-pentaen-5-ol

> <ALOGPS_LOGP>
2.23

> <JCHEM_LOGP>
1.5464514592804244

> <ALOGPS_LOGS>
-2.65

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.334145942929953

> <JCHEM_PKA_STRONGEST_BASIC>
11.703071708381405

> <JCHEM_POLAR_SURFACE_AREA>
41.93000000000001

> <JCHEM_REFRACTIVITY>
87.95689999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.78e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,16R)-4,16-dimethoxy-10-azatetracyclo[8.7.0.0¹,¹³.0²,⁷]heptadeca-2(7),3,5,12,14-pentaen-5-ol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  O   UNK     0      -0.693   3.430   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      -3.409   0.412   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -2.036  -0.340   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.693   0.412   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.512  -0.340   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.512  -1.846   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.869  -2.601   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.227  -1.846   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       3.227  -0.340   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       4.734  -0.340   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.734   1.167   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.869   0.412   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.227   1.167   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.227   2.676   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.869   3.430   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.512   2.676   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.512   1.167   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.693  -2.601   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.036  -1.846   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -3.409  -2.601   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -2.062   2.704   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -4.734  -0.391   0.000  0.00  0.00           C+0
CONECT    1   21   16                                                       
CONECT    2    3   22                                                       
CONECT    3    2    4   19                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   12                                                  
CONECT    6    5    7   18                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   12                                                  
CONECT   10    9   11                                                       
CONECT   11   10   13                                                       
CONECT   12    5   13   17    9                                             
CONECT   13   11   12   14                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17    1                                                  
CONECT   17   12   16                                                       
CONECT   18    6   19                                                       
CONECT   19    3   18   20                                                  
CONECT   20   19                                                            
CONECT   21    1                                                            
CONECT   22    2                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   50    0
END

View in JSmol

Synonyms

Value	Source
1,2,6,7-Tetradehydro-3,15-dimethoxy-(3beta)-erythrinan-16-ol	HMDB
1,2,6,7-Tetradehydro-3,15-dimethoxyerythrinan-16-ol	HMDB
Erysodine hydrochloride	HMDB
Erysodine	MeSH

Chemical Formula

C₁₈H₂₁NO₃

Average Mass

299.3642 Da

Monoisotopic Mass

299.15214 Da

IUPAC Name

(1S,16R)-4,16-dimethoxy-10-azatetracyclo[8.7.0.0¹,¹³.0²,⁷]heptadeca-2(7),3,5,12,14-pentaen-5-ol

Traditional Name

(1S,16R)-4,16-dimethoxy-10-azatetracyclo[8.7.0.0¹,¹³.0²,⁷]heptadeca-2(7),3,5,12,14-pentaen-5-ol

CAS Registry Number

Not Available

SMILES

CO[C@@H]1C[C@]23N(CC=C2C=C1)CCC1=C3C=C(OC)C(O)=C1

InChI Identifier

InChI=1S/C18H21NO3/c1-21-14-4-3-13-6-8-19-7-5-12-9-16(20)17(22-2)10-15(12)18(13,19)11-14/h3-4,6,9-10,14,20H,5,7-8,11H2,1-2H3/t14-,18-/m0/s1

InChI Key

BDIVMECULLJBMU-KSSFIOAISA-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
Erythrina abyssinica	LOTUS Database	35616633
Erythrina americana	Plant	KNApSAcK
Erythrina berteroana	LOTUS Database	35616633
Erythrina bidwillii	LOTUS Database	35616633
Erythrina brucei	LOTUS Database	35616633
Erythrina caffra	Plant	KNApSAcK
Erythrina cochleata	LOTUS Database	35616633
Erythrina coralloides	LOTUS Database	35616633
Erythrina crista-galli	Plant	KNApSAcK
Erythrina fusca	Plant	KNApSAcK
Erythrina latissima	LOTUS Database	35616633
Erythrina lysistemon	Plant	KNApSAcK
Erythrina poeppigiana	LOTUS Database	35616633
Erythrina senegalensis	Plant	KNApSAcK
Erythrina smithiana	LOTUS Database	35616633
Erythrina speciosa	LOTUS Database	35616633
Erythrina stricta	LOTUS Database	35616633
Erythrina suberosa	Plant	KNApSAcK
Erythrina variegata	LOTUS Database	35616633
Erythrina variegata Linn.	Plant	KNApSAcK
Erythrina velutina	LOTUS Database	35616633
Erythrina x bidwillii	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as erythrinanes. These are erythrina alkaloids possessing either a 6-5-6-6-membered indoloisoquinoline core or a derivative thereof.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Erythrina alkaloids

Sub Class

Erythrinanes

Direct Parent

Erythrinanes

Alternative Parents

Substituents

Erythrinane skeleton
Tetrahydroisoquinoline
Indole or derivatives
Anisole
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Aralkylamine
Benzenoid
Pyrroline
Tertiary aliphatic amine
Tertiary amine
Organoheterocyclic compound
Ether
Dialkyl ether
Azacycle
Organopnictogen compound
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Amine
Organic nitrogen 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	2.23	ALOGPS
logP	1.55	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	7.33	ChemAxon
pKa (Strongest Basic)	11.7	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	41.93 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	87.96 m³·mol⁻¹	ChemAxon
Polarizability	32.52 Å³	ChemAxon
Number of Rings	4	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

HMDB0030255

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB002079

KNApSAcK ID

C00019515

Chemspider ID

147826

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

169017

PDB ID

Not Available

ChEBI ID

573400

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Erysodin (NP0062834)

MOL for NP0062834 (Erysodin)

3D MOL for NP0062834 (Erysodin)

3D SDF for NP0062834 (Erysodin)

3D-SDF for NP0062834 (Erysodin)

PDB for NP0062834 (Erysodin)

3D PDB for NP0062834 (Erysodin)

SMILES for NP0062834 (Erysodin)

INCHI for NP0062834 (Erysodin)

Structure for NP0062834 (Erysodin)

3D Structure for NP0062834 (Erysodin)