NP-MRD: Showing NP-Card for Spinuloplagin A (NP0061385)

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Record Information

Version

2.0

Created at

2022-04-28 06:11:41 UTC

Updated at

2022-04-28 06:11:41 UTC

NP-MRD ID

NP0061385

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Spinuloplagin A

Description

Methyl (1S,10R,15R,18R,19S,22S)-5-[2-(4-methoxyphenyl)ethyl]-12,15,22-trimethyl-18-(propan-2-yl)-2,9-dioxapentacyclo[11.9.0.0¹,¹⁰.0³,⁸.0¹⁵,¹⁹]Docosa-3(8),4,6,12-tetraene-4-carboxylate belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. Spinuloplagin A is found in Plagiochila spinulosa. Based on a literature review very few articles have been published on methyl (1S,10R,15R,18R,19S,22S)-5-[2-(4-methoxyphenyl)ethyl]-12,15,22-trimethyl-18-(propan-2-yl)-2,9-dioxapentacyclo[11.9.0.0¹,¹⁰.0³,⁸.0¹⁵,¹⁹]Docosa-3(8),4,6,12-tetraene-4-carboxylate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282208112D          

 42 47  0  0  1  0            999 V2000
   -0.7970   -1.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0162   -1.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2569   -2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  4  5  1  0  0  0  0
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  9 10  2  0  0  0  0
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  9 14  1  0  0  0  0
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 29 41  1  6  0  0  0
 26 42  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652304282208112D          

 42 47  0  0  1  0            999 V2000
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   -1.9421   -4.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4152   -5.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7015   -6.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5147   -6.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0416   -5.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7553   -4.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8010   -6.9473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6142   -7.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7838   -3.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -3.2966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4975   -4.2093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3157   -4.3482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3564   -1.8881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6427   -1.1144    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1158   -0.4796    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3025   -0.6185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5567    0.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3561    0.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4092   -0.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2010   -1.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7418   -1.7851    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7868   -2.6089    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1423   -3.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5263   -2.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1848   -1.7904    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8910   -1.3638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5842   -2.8206    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0320   -2.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5113   -1.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8817   -3.5901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6968   -3.7173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3640   -4.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9549   -0.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9909    0.5408    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  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  3 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  2 24  1  0  0  0  0
 23 25  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 22 27  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  6  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 22 33  1  0  0  0  0
 33 34  1  1  0  0  0
 30 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 29 37  1  0  0  0  0
 35 38  1  6  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 29 41  1  6  0  0  0
 26 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0061385

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C1=C2O[C@]34[C@@H](CC(C)=C3C[C@@]3(C)CC[C@H](C(C)C)[C@@H]3CC[C@@H]4C)OC2=CC=C1CCC1=CC=C(OC)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C37H48O5/c1-22(2)28-18-19-36(5)21-30-23(3)20-32-37(30,24(4)8-16-29(28)36)42-34-31(41-32)17-13-26(33(34)35(38)40-7)12-9-25-10-14-27(39-6)15-11-25/h10-11,13-15,17,22,24,28-29,32H,8-9,12,16,18-21H2,1-7H3/t24-,28+,29-,32+,36+,37-/m0/s1

> <INCHI_KEY>
SFPFWZXPEPOPAS-ICDQSQGLSA-N

> <FORMULA>
C37H48O5

> <MOLECULAR_WEIGHT>
572.786

> <EXACT_MASS>
572.350174646

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
90

> <JCHEM_AVERAGE_POLARIZABILITY>
66.82732855163238

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl (1S,10R,15R,18R,19S,22S)-5-[2-(4-methoxyphenyl)ethyl]-12,15,22-trimethyl-18-(propan-2-yl)-2,9-dioxapentacyclo[11.9.0.0^{1,10}.0^{3,8}.0^{15,19}]docosa-3,5,7,12-tetraene-4-carboxylate

> <ALOGPS_LOGP>
8.24

> <JCHEM_LOGP>
9.030742264666667

> <ALOGPS_LOGS>
-6.96

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.446178123328222

> <JCHEM_POLAR_SURFACE_AREA>
53.99000000000001

> <JCHEM_REFRACTIVITY>
166.55500000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.34e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl (1S,10R,15R,18R,19S,22S)-18-isopropyl-5-[2-(4-methoxyphenyl)ethyl]-12,15,22-trimethyl-2,9-dioxapentacyclo[11.9.0.0^{1,10}.0^{3,8}.0^{15,19}]docosa-3,5,7,12-tetraene-4-carboxylate

> <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      -1.488  -2.858   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.030  -2.599   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.014  -3.784   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.480  -5.228   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.038  -5.487   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.022  -4.302   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.573  -6.932   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -3.091  -7.191   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.625  -8.635   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.642  -9.820   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -3.176 -11.265   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.694 -11.524   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.678 -10.339   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.143  -8.895   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -5.229 -12.968   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -6.747 -13.228   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.463  -6.413   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       2.981  -6.154   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       0.929  -7.857   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -0.589  -8.117   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       2.532  -3.524   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       3.066  -2.080   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.083  -0.895   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       0.565  -1.155   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       2.906   0.406   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.398   0.026   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.497  -1.511   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.975  -2.082   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.985  -3.332   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       7.069  -4.870   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       5.866  -5.924   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.716  -4.805   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.078  -3.342   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       5.396  -2.546   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       8.557  -5.265   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       9.393  -3.972   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       8.421  -2.777   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       9.112  -6.701   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      10.634  -6.939   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       8.146  -7.901   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       7.382  -1.845   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       5.583   1.010   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3   24                                                  
CONECT    3    2    4   21                                                  
CONECT    4    3    5   17                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   14                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   15                                                  
CONECT   13   12   14                                                       
CONECT   14   13    9                                                       
CONECT   15   12   16                                                       
CONECT   16   15                                                            
CONECT   17    4   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19                                                            
CONECT   21    3   22                                                       
CONECT   22   21   23   27   33                                             
CONECT   23   22   24   25                                                  
CONECT   24   23    2                                                       
CONECT   25   23   26                                                       
CONECT   26   25   27   42                                                  
CONECT   27   26   22   28                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   37   41                                             
CONECT   30   29   31   35                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   22   34                                                  
CONECT   34   33                                                            
CONECT   35   30   36   38                                                  
CONECT   36   35   37                                                       
CONECT   37   36   29                                                       
CONECT   38   35   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38                                                            
CONECT   41   29                                                            
CONECT   42   26                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   94    0
END

View in JSmol

Synonyms

Value	Source
Methyl (1S,10R,15R,18R,19S,22S)-5-[2-(4-methoxyphenyl)ethyl]-12,15,22-trimethyl-18-(propan-2-yl)-2,9-dioxapentacyclo[11.9.0.0,.0,.0,]docosa-3(8),4,6,12-tetraene-4-carboxylic acid	Generator

Chemical Formula

C₃₇H₄₈O₅

Average Mass

572.7860 Da

Monoisotopic Mass

572.35017 Da

IUPAC Name

methyl (1S,10R,15R,18R,19S,22S)-5-[2-(4-methoxyphenyl)ethyl]-12,15,22-trimethyl-18-(propan-2-yl)-2,9-dioxapentacyclo[11.9.0.0^{1,10}.0^{3,8}.0^{15,19}]docosa-3,5,7,12-tetraene-4-carboxylate

Traditional Name

methyl (1S,10R,15R,18R,19S,22S)-18-isopropyl-5-[2-(4-methoxyphenyl)ethyl]-12,15,22-trimethyl-2,9-dioxapentacyclo[11.9.0.0^{1,10}.0^{3,8}.0^{15,19}]docosa-3,5,7,12-tetraene-4-carboxylate

CAS Registry Number

Not Available

SMILES

COC(=O)C1=C2O[C@]34[C@@H](CC(C)=C3C[C@@]3(C)CC[C@H](C(C)C)[C@@H]3CC[C@@H]4C)OC2=CC=C1CCC1=CC=C(OC)C=C1

InChI Identifier

InChI=1S/C37H48O5/c1-22(2)28-18-19-36(5)21-30-23(3)20-32-37(30,24(4)8-16-29(28)36)42-34-31(41-32)17-13-26(33(34)35(38)40-7)12-9-25-10-14-27(39-6)15-11-25/h10-11,13-15,17,22,24,28-29,32H,8-9,12,16,18-21H2,1-7H3/t24-,28+,29-,32+,36+,37-/m0/s1

InChI Key

SFPFWZXPEPOPAS-ICDQSQGLSA-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
Plagiochila spinulosa	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Stilbenes

Sub Class

Not Available

Direct Parent

Stilbenes

Alternative Parents

Substituents

Stilbene
Phenoxy compound
Methoxybenzene
Phenol ether
Anisole
Alkyl aryl ether
Benzenoid
Para-dioxin
Monocyclic benzene moiety
Methyl ester
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Ether
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
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	8.24	ALOGPS
logP	9.03	ChemAxon
logS	-7	ALOGPS
pKa (Strongest Basic)	-4.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	53.99 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	166.56 m³·mol⁻¹	ChemAxon
Polarizability	66.83 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

163105953

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Spinuloplagin A (NP0061385)

MOL for NP0061385 (Spinuloplagin A)

3D MOL for NP0061385 (Spinuloplagin A)

3D SDF for NP0061385 (Spinuloplagin A)

3D-SDF for NP0061385 (Spinuloplagin A)

PDB for NP0061385 (Spinuloplagin A)

3D PDB for NP0061385 (Spinuloplagin A)

SMILES for NP0061385 (Spinuloplagin A)

INCHI for NP0061385 (Spinuloplagin A)

Structure for NP0061385 (Spinuloplagin A)

3D Structure for NP0061385 (Spinuloplagin A)