NP-MRD: Showing NP-Card for Stecholide K (NP0082878)

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Record Information

Version

2.0

Created at

2022-04-29 03:57:10 UTC

Updated at

2022-04-29 03:57:10 UTC

NP-MRD ID

NP0082878

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Stecholide K

Description

(1R,2R,3R,5S,8S,9Z,12R,13R,14R,15S,16R,17S,19R)-2,12,13,15-tetrakis(acetyloxy)-5,10,14,19-tetramethyl-6-oxo-4,7,18-trioxapentacyclo[12.5.0.0³,⁵.0³,⁸.0¹⁷,¹⁹]Nonadec-9-en-16-yl acetate belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. Stecholide K is found in Briareum sp. Based on a literature review very few articles have been published on (1R,2R,3R,5S,8S,9Z,12R,13R,14R,15S,16R,17S,19R)-2,12,13,15-tetrakis(acetyloxy)-5,10,14,19-tetramethyl-6-oxo-4,7,18-trioxapentacyclo[12.5.0.0³,⁵.0³,⁸.0¹⁷,¹⁹]Nonadec-9-en-16-yl acetate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304292205572D          

 44 48  0  0  1  0            999 V2000
    4.2211   -1.0255    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9523   -0.6434    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6488   -1.0857    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6141   -1.9099    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8829   -2.2920    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1864   -1.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4552   -2.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7587   -1.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5926    1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 42 44  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652304292205572D          

 44 48  0  0  1  0            999 V2000
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    4.8481   -3.1162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8629   -3.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5941   -3.0308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5099   -4.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3105   -2.3521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2758   -3.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9723   -3.6186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5446   -3.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3800   -0.7036    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4147    0.1207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7183    0.5629    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9871    0.1808    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0218    1.0051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3406    0.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1460    0.5027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1807    1.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4842    1.7692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9119    1.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0765   -1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8077   -0.7638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8424    0.0605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5042   -1.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3453   -1.5279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5089   -0.2523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9832    0.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1697    0.2461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2709    1.1567    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  9 14  1  6  0  0  0
 11 15  1  0  0  0  0
 10 15  1  1  0  0  0
 11 16  1  6  0  0  0
  7 17  1  0  0  0  0
  5 18  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  4 22  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
  3 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
  2 29  1  6  0  0  0
 29 30  1  0  0  0  0
 28 30  1  1  0  0  0
 29 31  1  6  0  0  0
 27 32  1  6  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 26 36  1  1  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
  3 40  1  6  0  0  0
  1 41  1  1  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0082878

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)O[C@H]1[C@@H]2O[C@]2(C)[C@H]2[C@@H](OC(C)=O)[C@@]34O[C@]3(C)C(=O)O[C@H]4\C=C(C)/C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]2(C)[C@@H]1OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C30H38O14/c1-12-10-18(37-13(2)31)22(39-15(4)33)27(7)21(28(8)24(43-28)20(38-14(3)32)23(27)40-16(5)34)25(41-17(6)35)30-19(11-12)42-26(36)29(30,9)44-30/h11,18-25H,10H2,1-9H3/b12-11-/t18-,19+,20-,21+,22+,23-,24+,25-,27-,28-,29-,30-/m1/s1

> <INCHI_KEY>
BMPAVEZYCJNGOA-RRRMMJGSSA-N

> <FORMULA>
C30H38O14

> <MOLECULAR_WEIGHT>
622.62

> <EXACT_MASS>
622.226155904

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
82

> <JCHEM_AVERAGE_POLARIZABILITY>
60.227941211754754

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2R,3R,5S,8S,9Z,12R,13R,14R,15S,16R,17S,19R)-2,12,15,16-tetrakis(acetyloxy)-5,10,14,19-tetramethyl-6-oxo-4,7,18-trioxapentacyclo[12.5.0.0^{3,5}.0^{3,8}.0^{17,19}]nonadec-9-en-13-yl acetate

> <ALOGPS_LOGP>
2.42

> <JCHEM_LOGP>
0.4347327919999998

> <ALOGPS_LOGS>
-3.85

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.9986032592171292

> <JCHEM_POLAR_SURFACE_AREA>
182.85999999999999

> <JCHEM_REFRACTIVITY>
141.52880000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.71e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,3R,5S,8S,9Z,12R,13R,14R,15S,16R,17S,19R)-2,12,15,16-tetrakis(acetyloxy)-5,10,14,19-tetramethyl-6-oxo-4,7,18-trioxapentacyclo[12.5.0.0^{3,5}.0^{3,8}.0^{17,19}]nonadec-9-en-13-yl acetate

> <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       7.879  -1.914   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.244  -1.201   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.544  -2.027   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.480  -3.565   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.115  -4.278   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.815  -3.453   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.450  -4.166   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.150  -3.341   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.214  -1.802   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.579  -1.089   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.521   0.520   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.799   0.655   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       4.086   2.020   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       4.114  -0.724   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       7.766  -0.107   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       6.706   1.921   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.385  -5.705   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       9.050  -5.817   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      10.944  -6.371   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      12.309  -5.657   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      10.285  -8.181   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      11.780  -4.391   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      11.715  -5.929   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      13.015  -6.755   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      10.350  -6.642   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      11.909  -1.313   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      11.974   0.225   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      10.674   1.051   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       9.309   0.338   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       9.374   1.876   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       8.103   1.294   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      13.339   0.938   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      13.404   2.477   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      12.104   3.303   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      14.769   3.190   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      13.209  -2.139   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      14.574  -1.426   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      14.639   0.113   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      15.874  -2.251   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      11.845  -2.852   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       8.417  -0.471   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       7.435   0.716   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       5.917   0.459   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       7.972   2.159   0.000  0.00  0.00           C+0
CONECT    1    2   10   41                                                  
CONECT    2    1    3   29                                                  
CONECT    3    2    4   26   40                                             
CONECT    4    3    5   22                                                  
CONECT    5    4    6   18                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   17                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   14                                                  
CONECT   10    9    1   11   15                                             
CONECT   11   10   12   15   16                                             
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12    9                                                       
CONECT   15   11   10                                                       
CONECT   16   11                                                            
CONECT   17    7                                                            
CONECT   18    5   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22    4   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23                                                            
CONECT   26    3   27   36                                                  
CONECT   27   26   28   32                                                  
CONECT   28   27   29   30                                                  
CONECT   29   28    2   30   31                                             
CONECT   30   29   28                                                       
CONECT   31   29                                                            
CONECT   32   27   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33                                                            
CONECT   36   26   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37                                                            
CONECT   40    3                                                            
CONECT   41    1   42                                                       
CONECT   42   41   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   96    0
END

View in JSmol

Synonyms

Value	Source
(1R,2R,3R,5S,8S,9Z,12R,13R,14R,15S,16R,17S,19R)-2,12,13,15-Tetrakis(acetyloxy)-5,10,14,19-tetramethyl-6-oxo-4,7,18-trioxapentacyclo[12.5.0.0,.0,.0,]nonadec-9-en-16-yl acetic acid	Generator

Chemical Formula

C₃₀H₃₈O₁₄

Average Mass

622.6200 Da

Monoisotopic Mass

622.22616 Da

IUPAC Name

(1R,2R,3R,5S,8S,9Z,12R,13R,14R,15S,16R,17S,19R)-2,12,15,16-tetrakis(acetyloxy)-5,10,14,19-tetramethyl-6-oxo-4,7,18-trioxapentacyclo[12.5.0.0^{3,5}.0^{3,8}.0^{17,19}]nonadec-9-en-13-yl acetate

Traditional Name

(1R,2R,3R,5S,8S,9Z,12R,13R,14R,15S,16R,17S,19R)-2,12,15,16-tetrakis(acetyloxy)-5,10,14,19-tetramethyl-6-oxo-4,7,18-trioxapentacyclo[12.5.0.0^{3,5}.0^{3,8}.0^{17,19}]nonadec-9-en-13-yl acetate

CAS Registry Number

Not Available

SMILES

CC(=O)O[C@H]1[C@@H]2O[C@]2(C)[C@H]2[C@@H](OC(C)=O)[C@@]34O[C@]3(C)C(=O)O[C@H]4\C=C(C)/C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]2(C)[C@@H]1OC(C)=O

InChI Identifier

InChI=1S/C30H38O14/c1-12-10-18(37-13(2)31)22(39-15(4)33)27(7)21(28(8)24(43-28)20(38-14(3)32)23(27)40-16(5)34)25(41-17(6)35)30-19(11-12)42-26(36)29(30,9)44-30/h11,18-25H,10H2,1-9H3/b12-11-/t18-,19+,20-,21+,22+,23-,24+,25-,27-,28-,29-,30-/m1/s1

InChI Key

BMPAVEZYCJNGOA-RRRMMJGSSA-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
Briareum sp.	-	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Diterpene lactones

Alternative Parents

Substituents

Briarane diterpenoid
Hexacarboxylic acid or derivatives
Diterpenoid
Diterpene lactone
Oxepane
Gamma butyrolactone
Para-dioxane
Tetrahydrofuran
Lactone
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Ether
Oxirane
Dialkyl ether
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	2.42	ALOGPS
logP	0.43	ChemAxon
logS	-3.8	ALOGPS
pKa (Strongest Basic)	-4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	182.86 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	141.53 m³·mol⁻¹	ChemAxon
Polarizability	60.23 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	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

163020831

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Stecholide K (NP0082878)

MOL for NP0082878 (Stecholide K)

3D MOL for NP0082878 (Stecholide K)

3D SDF for NP0082878 (Stecholide K)

3D-SDF for NP0082878 (Stecholide K)

PDB for NP0082878 (Stecholide K)

3D PDB for NP0082878 (Stecholide K)

SMILES for NP0082878 (Stecholide K)

INCHI for NP0082878 (Stecholide K)

Structure for NP0082878 (Stecholide K)

3D Structure for NP0082878 (Stecholide K)