NP-MRD: Showing NP-Card for rhododendrin (NP0163871)

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Record Information

Version

2.0

Created at

2022-09-02 22:37:32 UTC

Updated at

2022-09-02 22:37:32 UTC

NP-MRD ID

NP0163871

Secondary Accession Numbers

None

Natural Product Identification

Common Name

rhododendrin

Description

Rhododendrin belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. rhododendrin is found in Abies nephrolepis, Abies spectabilis, Betula ovalifolia, Betula pendula, Betula platyphylla, Betula pubescens, Rhododendron brachycarpum, Taxus baccata, Taxus canadensis and Taxus cuspidata. Rhododendrin is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 47 48  0  0  0  0  0  0  0  0999 V2000
    0.6259   -2.7280   -0.7788 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2865   -1.2694   -0.6253 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4795   -0.5221   -0.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6202   -0.7066   -1.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8586   -0.0194   -0.5689 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1551    1.2896   -0.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3159    1.8966   -0.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2271    1.2212    0.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4021    1.8119    0.7737 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9399   -0.0830    0.6646 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7806   -0.6735    0.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7801   -1.0635    0.2168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8426   -0.4041   -0.3906 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9713    0.8352    0.2086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2469    1.3424    0.1069 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2718    2.8220    0.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6213    3.2220    0.2861 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1090    0.5540    1.0689 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.3886    1.0983    1.0911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0781   -0.8760    0.6673 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9599   -1.6867    1.8193 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0864   -1.2286   -0.3782 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6498   -1.2348   -1.6545 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2381   -3.0616    0.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2995   -3.3392   -0.7690 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1317   -2.9181   -1.7326 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0194   -0.8402   -1.6164 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2415    0.5250    0.1463 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7421   -1.0309    0.9071 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8449   -1.7905   -1.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3597   -0.2784   -2.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4671    1.8529   -1.5276 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5514    2.9213   -0.7344 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648    2.7532    0.5586 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6658   -0.6019    1.2888 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5872   -1.6957    0.5089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5288   -0.2092   -1.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6145    1.1421   -0.9083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7249    3.3849   -0.3593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9313    3.0458    1.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9462    2.9110   -0.6010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6398    0.6409    2.0884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7062    1.1020    2.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1008   -1.1294    0.2588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3621   -2.5858    1.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7658   -2.2961   -0.1881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5793   -2.0995   -2.1113 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  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
  2 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 11  5  1  0
 22 13  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  6
  3 28  1  0
  3 29  1  0
  4 30  1  0
  4 31  1  0
  6 32  1  0
  7 33  1  0
  9 34  1  0
 10 35  1  0
 11 36  1  0
 13 37  1  6
 15 38  1  6
 16 39  1  0
 16 40  1  0
 17 41  1  0
 18 42  1  1
 19 43  1  0
 20 44  1  6
 21 45  1  0
 22 46  1  1
 23 47  1  0
M  END


  Mrv1652309272006432D          

 23 24  0  0  0  0            999 V2000
 9998.0070 9998.2646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.7219 9998.6764    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.4363 9998.2646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.1524 9998.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.0106 9997.0254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.7219 9999.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.577410000.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.862510001.1527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.5774 9997.4392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9995.1476 9998.2646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9995.1476 9999.9145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.5774 9999.9142    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9995.8629 9999.5018    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9995.8629 9998.6768    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9996.5774 9998.2644    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9997.2918 9998.6768    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9997.2918 9999.5018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.2962 9998.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.5819 9998.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.8674 9998.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.8674 9997.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.5818 9997.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.2962 9997.4392    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
  2  6  1  6  0  0  0
  3  4  1  0  0  0  0
  7  8  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 17  1  0  0  0  0
 16 17  1  0  0  0  0
 15  9  1  6  0  0  0
 14 10  1  1  0  0  0
 13 11  1  6  0  0  0
 12  7  1  1  0  0  0
 16  1  1  1  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 23  5  1  0  0  0  0
  4 20  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0163871

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H](CCC1=CC=C(O)C=C1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C16H24O7/c1-9(2-3-10-4-6-11(18)7-5-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h4-7,9,12-21H,2-3,8H2,1H3/t9-,12-,13-,14+,15-,16-/m1/s1

> <INCHI_KEY>
KLLYDTMVSVIJEH-YYMOATHLSA-N

> <FORMULA>
C16H24O7

> <MOLECULAR_WEIGHT>
328.361

> <EXACT_MASS>
328.152203113

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
47

> <JCHEM_AVERAGE_POLARIZABILITY>
34.40362725409153

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(2R)-4-(4-hydroxyphenyl)butan-2-yl]oxy}oxane-3,4,5-triol

> <ALOGPS_LOGP>
-0.44

> <JCHEM_LOGP>
0.2812999759999997

> <ALOGPS_LOGS>
-1.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.215303828720502

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.29078800095463

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810835402804816

> <JCHEM_POLAR_SURFACE_AREA>
119.61000000000001

> <JCHEM_REFRACTIVITY>
81.0429

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.22e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
rhododendrin

> <JCHEM_VEBER_RULE>
0

$$$$

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  O   UNK     0    8662.9468663.427   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0    8664.2818664.196   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8665.6148663.427   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8666.9518664.196   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0    8672.2868661.114   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0    8664.2818665.737   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8660.2788668.048   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0    8658.9438668.818   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0    8660.2788661.886   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0    8657.6098663.427   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0    8657.6098666.507   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0    8660.2788666.507   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8658.9448665.737   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8658.9448664.197   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8660.2788663.427   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8661.6118664.197   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0    8661.6118665.737   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0    8670.9538663.426   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8669.6208664.196   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8668.2868663.426   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8668.2868661.886   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8669.6198661.116   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8670.9538661.886   0.000  0.00  0.00           C+0
CONECT    1    2   16                                                       
CONECT    2    1    3    6                                                  
CONECT    3    2    4                                                       
CONECT    4    3   20                                                       
CONECT    5   23                                                            
CONECT    6    2                                                            
CONECT    7    8   12                                                       
CONECT    8    7                                                            
CONECT    9   15                                                            
CONECT   10   14                                                            
CONECT   11   13                                                            
CONECT   12   13   17    7                                                  
CONECT   13   12   14   11                                                  
CONECT   14   13   15   10                                                  
CONECT   15   14   16    9                                                  
CONECT   16   15   17    1                                                  
CONECT   17   12   16                                                       
CONECT   18   19   23                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21    4                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   18    5                                                  
MASTER        0    0    0    0    0    0    0    0   23    0   48    0
END

View in JSmol

Synonyms

Value	Source
(2R)-4-(4-Hydroxyphenyl)-2-butanyl beta-D-glucopyranoside	MeSH
(-)-Rhododendrin	MeSH
(1R)-3-(4-Hydroxyphenyl)-1-methylpropyl beta-D-glucopyranoside	PhytoBank
(1R)-3-(4-Hydroxyphenyl)-1-methylpropyl β-D-glucopyranoside	PhytoBank
Betuloside	PhytoBank

Chemical Formula

C₁₆H₂₄O₇

Average Mass

328.3610 Da

Monoisotopic Mass

328.15220 Da

IUPAC Name

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(2R)-4-(4-hydroxyphenyl)butan-2-yl]oxy}oxane-3,4,5-triol

Traditional Name

rhododendrin

CAS Registry Number

Not Available

SMILES

C[C@H](CCC1=CC=C(O)C=C1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C16H24O7/c1-9(2-3-10-4-6-11(18)7-5-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h4-7,9,12-21H,2-3,8H2,1H3/t9-,12-,13-,14+,15-,16-/m1/s1

InChI Key

KLLYDTMVSVIJEH-YYMOATHLSA-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, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, 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
Abies nephrolepis	LOTUS Database	35616633
Abies spectabilis	LOTUS Database	35616633
Betula ovalifolia	LOTUS Database	35616633
Betula pendula	LOTUS Database	35616633
Betula platyphylla	LOTUS Database	35616633
Betula pubescens	LOTUS Database	35616633
Rhododendron brachycarpum	LOTUS Database	35616633
Taxus baccata	LOTUS Database	35616633
Taxus canadensis	LOTUS Database	35616633
Taxus cuspidata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acyl glycosides

Direct Parent

Fatty acyl glycosides of mono- and disaccharides

Alternative Parents

Substituents

Fatty acyl glycoside of mono- or disaccharide
Alkyl glycoside
Glycosyl compound
O-glycosyl compound
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Monosaccharide
Oxane
Benzenoid
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Acetal
Polyol
Organic oxygen compound
Organooxygen compound
Alcohol
Hydrocarbon derivative
Primary alcohol
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

glycoside (CHEBI:8832 )

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	-0.44	ALOGPS
logP	0.28	ChemAxon
logS	-1.7	ALOGPS
pKa (Strongest Acidic)	10.29	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	119.61 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	81.04 m³·mol⁻¹	ChemAxon
Polarizability	34.4 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

C00003014

Chemspider ID

390960

KEGG Compound ID

C09965

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Rhododendrin

METLIN ID

Not Available

PubChem Compound

442538

PDB ID

Not Available

ChEBI ID

8832

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for rhododendrin (NP0163871)

MOL for NP0163871 (rhododendrin)

3D MOL for NP0163871 (rhododendrin)

3D SDF for NP0163871 (rhododendrin)

3D-SDF for NP0163871 (rhododendrin)

PDB for NP0163871 (rhododendrin)

3D PDB for NP0163871 (rhododendrin)

SMILES for NP0163871 (rhododendrin)

INCHI for NP0163871 (rhododendrin)

Structure for NP0163871 (rhododendrin)

3D Structure for NP0163871 (rhododendrin)