NP-MRD: Showing NP-Card for Heterocarpine (NP0077624)

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Record Information

Version

2.0

Created at

2022-04-28 22:45:29 UTC

Updated at

2022-04-28 22:45:29 UTC

NP-MRD ID

NP0077624

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Heterocarpine

Description

(1R)-1-(Hydroxymethyl)-2-(3-hydroxy-4-methoxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-7-ol belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached. Heterocarpine is found in Ceratocapnos heterocarpa. Based on a literature review very few articles have been published on (1R)-1-(Hydroxymethyl)-2-(3-hydroxy-4-methoxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-7-ol.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 48 50  0  0  0  0  0  0  0  0999 V2000
   -6.9963   -0.8970    1.5290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2234   -1.3032    0.4449 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0044   -0.7580    0.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4253    0.2877    0.7622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2039    0.7927    0.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5121    0.3119   -0.7491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2074    0.9337   -1.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0581    0.3129   -0.6412 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3335   -0.9709   -0.9964 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7597   -1.1370   -1.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6685   -0.2299   -0.6829 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0565   -0.4542   -0.7697 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9407    0.3689   -0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3110    0.1081   -0.2390 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7748   -0.9938   -1.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4781    1.4280    0.6124 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4072    2.2376    1.2469 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1029    1.6395    0.6904 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2057    0.8172    0.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7692    1.0870    0.1839 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3959    0.8177    1.6539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1526    1.5295    2.5450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0929   -0.7282   -1.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3276   -1.2488   -1.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8572   -2.3036   -1.7700 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6980   -0.0775    1.3276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4081   -0.6769    2.4397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6497   -1.7764    1.7928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9645    0.6698    1.6204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    1.6273    0.9267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2153    2.0027   -0.7230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1998    1.0462   -2.2097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2734   -1.3150   -1.8862 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0801   -1.7616   -0.2226 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0776   -2.1831   -1.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8648   -1.0641   -2.5028 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3779   -1.2914   -1.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3794   -0.8750   -2.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8709   -1.0718   -0.9933 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2886   -1.8927   -0.5403 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2135    3.0392    1.8149 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8225    2.4978    1.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5891    2.1707    0.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5297   -0.2683    1.8523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6683    1.0653    1.8138 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6651    2.2953    2.9451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5895   -1.1245   -2.2923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7445   -2.6837   -1.4776 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
  6 23  1  0
 23 24  2  0
 24 25  1  0
 24  3  1  0
 20  8  1  0
 19 11  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  4 29  1  0
  5 30  1  0
  7 31  1  0
  7 32  1  0
  9 33  1  0
  9 34  1  0
 10 35  1  0
 10 36  1  0
 12 37  1  0
 15 38  1  0
 15 39  1  0
 15 40  1  0
 17 41  1  0
 18 42  1  0
 20 43  1  6
 21 44  1  0
 21 45  1  0
 22 46  1  0
 23 47  1  0
 25 48  1  0
M  END


  Mrv1652304292200452D          

 25 27  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 C   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 N   0  0  0  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 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 O   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
   -1.4289   -1.6500    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
   -2.1434   -0.4125    0.0000 C   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  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
 14 19  1  0  0  0  0
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
  2 23  1  0  0  0  0
  1 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0077624

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C(CN2CCC3=CC(OC)=C(O)C=C3[C@@H]2CO)C=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C19H23NO5/c1-24-18-4-3-12(7-16(18)22)10-20-6-5-13-8-19(25-2)17(23)9-14(13)15(20)11-21/h3-4,7-9,15,21-23H,5-6,10-11H2,1-2H3/t15-/m0/s1

> <INCHI_KEY>
KASWWLAVGKFTQB-HNNXBMFYSA-N

> <FORMULA>
C19H23NO5

> <MOLECULAR_WEIGHT>
345.395

> <EXACT_MASS>
345.157622845

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
48

> <JCHEM_AVERAGE_POLARIZABILITY>
37.208320316978686

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R)-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol

> <ALOGPS_LOGP>
1.73

> <JCHEM_LOGP>
2.1261960899999996

> <ALOGPS_LOGS>
-3.18

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.30165853391433

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.661477352332886

> <JCHEM_PKA_STRONGEST_BASIC>
6.29912803812756

> <JCHEM_POLAR_SURFACE_AREA>
82.39000000000001

> <JCHEM_REFRACTIVITY>
95.37360000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.31e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R)-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-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  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       4.001  -2.310   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       1.334  -5.390   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       2.667  -7.700   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       5.335  -9.240   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       4.001 -10.010   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
CONECT    1    2    6   24                                                  
CONECT    2    1    3   23                                                  
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                                                  
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                                                       
CONECT   17   16   18   21                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18   14                                                       
CONECT   20   18                                                            
CONECT   21   17   22                                                       
CONECT   22   21                                                            
CONECT   23    2                                                            
CONECT   24    1   25                                                       
CONECT   25   24                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   54    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₉H₂₃NO₅

Average Mass

345.3950 Da

Monoisotopic Mass

345.15762 Da

IUPAC Name

(1R)-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol

Traditional Name

(1R)-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol

CAS Registry Number

Not Available

SMILES

COC1=CC=C(CN2CCC3=CC(OC)=C(O)C=C3[C@@H]2CO)C=C1O

InChI Identifier

InChI=1S/C19H23NO5/c1-24-18-4-3-12(7-16(18)22)10-20-6-5-13-8-19(25-2)17(23)9-14(13)15(20)11-21/h3-4,7-9,15,21-23H,5-6,10-11H2,1-2H3/t15-/m0/s1

InChI Key

KASWWLAVGKFTQB-HNNXBMFYSA-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
Ceratocapnos heterocarpa	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Isoquinolines and derivatives

Sub Class

Benzylisoquinolines

Direct Parent

Benzylisoquinolines

Alternative Parents

Substituents

Benzylisoquinoline
Tetrahydroisoquinoline
Methoxyphenol
Phenoxy compound
Methoxybenzene
Phenylmethylamine
Phenol ether
Benzylamine
Anisole
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Aralkylamine
Phenol
Alkyl aryl ether
Benzenoid
Monocyclic benzene moiety
Tertiary aliphatic amine
Tertiary amine
1,2-aminoalcohol
Azacycle
Ether
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Organonitrogen compound
Amine
Alcohol
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	1.73	ALOGPS
logP	2.13	ChemAxon
logS	-3.2	ALOGPS
pKa (Strongest Acidic)	9.66	ChemAxon
pKa (Strongest Basic)	6.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	82.39 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	95.37 m³·mol⁻¹	ChemAxon
Polarizability	37.21 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

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

100956100

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Heterocarpine (NP0077624)

MOL for NP0077624 (Heterocarpine)

3D MOL for NP0077624 (Heterocarpine)

3D SDF for NP0077624 (Heterocarpine)

3D-SDF for NP0077624 (Heterocarpine)

PDB for NP0077624 (Heterocarpine)

3D PDB for NP0077624 (Heterocarpine)

SMILES for NP0077624 (Heterocarpine)

INCHI for NP0077624 (Heterocarpine)

Structure for NP0077624 (Heterocarpine)

3D Structure for NP0077624 (Heterocarpine)