NP-MRD: Showing NP-Card for Clonorosin A (NP0044706)

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Record Information

Version

2.0

Created at

2022-02-24 21:12:57 UTC

Updated at

2026-02-14 00:12:35 UTC

NP-MRD ID

NP0044706

Natural Product DOI

https://doi.org/10.57994/6744

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Clonorosin A

Description

Clonorosin A was first documented in 2021 (PMID: 34427432).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652302242222122D          

 30 34  0  0  1  0            999 V2000
    2.1813    0.9414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2243    0.1175    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4542    0.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8129   -0.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1686   -0.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6879   -0.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3925   -1.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4223   -1.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -0.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7118   -1.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3531   -0.6973    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1679   -0.8266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5427   -0.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9595    0.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4721    1.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6721    1.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3665   -0.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8157   -0.7408    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4409   -1.4758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6170   -1.5187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2422   -2.2537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6395   -0.6979    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0143    0.0371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0887   -1.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2648   -1.4328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7413    0.6862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6684   -2.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8714   -2.2535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
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 11 28  1  6  0  0  0
 10 29  2  0  0  0  0
 29 30  1  0  0  0  0
  8 30  1  0  0  0  0
M  END

     RDKit          3D

 48 52  0  0  0  0  0  0  0  0999 V2000
    4.7211   -0.7088    1.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9532    0.1668    0.5796 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4809    1.4613    0.5975 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6  8  1  0
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M  END


  Mrv1652302242222122D          

 30 34  0  0  1  0            999 V2000
    2.1813    0.9414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2243    0.1175    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4542    0.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8129   -0.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1686   -0.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4223   -1.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -0.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7118   -1.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3531   -0.6973    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1679   -0.8266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.6721    1.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3665   -0.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8157   -0.7408    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4409   -1.4758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6170   -1.5187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2422   -2.2537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6395   -0.6979    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0143    0.0371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0887   -1.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2648   -1.4328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7413    0.6862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9918   -0.7837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
  8 30  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0044706

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12CC3=CC=CC4=C3C(=CN4)[C@]1([H])[C@@]1([H])N(C(=O)[C@@]([H])(OC1=O)[C@H](C)O)C2(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C20H22N2O4/c1-9(23)17-18(24)22-16(19(25)26-17)15-11-8-21-13-6-4-5-10(14(11)13)7-12(15)20(22,2)3/h4-6,8-9,12,15-17,21,23H,7H2,1-3H3/t9-,12+,15-,16+,17-/m0/s1

> <INCHI_KEY>
DAKYNOMNFQGWOG-WNNTXUSSSA-N

> <FORMULA>
C20H22N2O4

> <MOLECULAR_WEIGHT>
354.406

> <EXACT_MASS>
354.157957196

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
48

> <JCHEM_AVERAGE_POLARIZABILITY>
36.92243616180099

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2R,3R,6S,10R)-6-[(1S)-1-hydroxyethyl]-9,9-dimethyl-5-oxa-8,17-diazapentacyclo[10.6.1.0^{2,10}.0^{3,8}.0^{16,19}]nonadeca-1(18),12,14,16(19)-tetraene-4,7-dione

> <ALOGPS_LOGP>
1.79

> <JCHEM_LOGP>
1.5632433780000008

> <ALOGPS_LOGS>
-2.63

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
16.000026714976816

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.227994006745565

> <JCHEM_PKA_STRONGEST_BASIC>
-3.121789481789918

> <JCHEM_POLAR_SURFACE_AREA>
82.63

> <JCHEM_REFRACTIVITY>
94.11629999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.27e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3R,6S,10R)-6-[(1S)-1-hydroxyethyl]-9,9-dimethyl-5-oxa-8,17-diazapentacyclo[10.6.1.0^{2,10}.0^{3,8}.0^{16,19}]nonadeca-1(18),12,14,16(19)-tetraene-4,7-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-22         0                                  
HETATM    1  H   UNK     0       4.072   1.757   0.000  0.00  0.00           H+0
HETATM    2  C   UNK     0       4.152   0.219   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.714   0.772   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.517  -0.197   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.315  -0.039   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.284  -1.235   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.733  -2.673   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.788  -2.915   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.758  -1.718   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.195  -2.270   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.392  -1.302   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.913  -1.543   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0       6.613  -0.171   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0       5.524   0.918   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.481   2.125   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.988   2.362   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.151  -0.091   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.989  -1.383   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       8.290  -2.755   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       6.752  -2.835   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       6.052  -4.207   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      10.527  -1.303   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      11.227   0.069   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      11.365  -2.594   0.000  0.00  0.00           C+0
HETATM   25  H   UNK     0       9.828  -2.675   0.000  0.00  0.00           H+0
HETATM   26  O   UNK     0       8.850   1.281   0.000  0.00  0.00           O+0
HETATM   27  H   UNK     0       7.451  -1.463   0.000  0.00  0.00           H+0
HETATM   28  H   UNK     0       2.955  -0.749   0.000  0.00  0.00           H+0
HETATM   29  C   UNK     0       3.114  -3.808   0.000  0.00  0.00           C+0
HETATM   30  N   UNK     0       1.627  -4.206   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3   11   14                                             
CONECT    3    2    4                                                       
CONECT    4    3    5    9                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   30                                                  
CONECT    9    8    4   10                                                  
CONECT   10    9   11   29                                                  
CONECT   11   10    2   12   28                                             
CONECT   12   11   13   20   27                                             
CONECT   13   12   14   17                                                  
CONECT   14   13    2   15   16                                             
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17   13   18   26                                                  
CONECT   18   17   19   22   25                                             
CONECT   19   18   20                                                       
CONECT   20   19   12   21                                                  
CONECT   21   20                                                            
CONECT   22   18   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   18                                                            
CONECT   26   17                                                            
CONECT   27   12                                                            
CONECT   28   11                                                            
CONECT   29   10   30                                                       
CONECT   30   29    8                                                       
MASTER        0    0    0    0    0    0    0    0   30    0   68    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₂₂N₂O₄

Average Mass

354.4060 Da

Monoisotopic Mass

354.15796 Da

IUPAC Name

(2R,3R,6S,10R)-6-[(1S)-1-hydroxyethyl]-9,9-dimethyl-5-oxa-8,17-diazapentacyclo[10.6.1.0^{2,10}.0^{3,8}.0^{16,19}]nonadeca-1(18),12,14,16(19)-tetraene-4,7-dione

Traditional Name

(2R,3R,6S,10R)-6-[(1S)-1-hydroxyethyl]-9,9-dimethyl-5-oxa-8,17-diazapentacyclo[10.6.1.0^{2,10}.0^{3,8}.0^{16,19}]nonadeca-1(18),12,14,16(19)-tetraene-4,7-dione

CAS Registry Number

Not Available

SMILES

[H][C@@]12CC3=CC=CC4=C3C(=CN4)[C@]1([H])[C@@]1([H])N(C(=O)[C@@]([H])(OC1=O)[C@H](C)O)C2(C)C

InChI Identifier

InChI=1S/C20H22N2O4/c1-9(23)17-18(24)22-16(19(25)26-17)15-11-8-21-13-6-4-5-10(14(11)13)7-12(15)20(22,2)3/h4-6,8-9,12,15-17,21,23H,7H2,1-3H3/t9-,12+,15-,16+,17-/m0/s1

InChI Key

DAKYNOMNFQGWOG-WNNTXUSSSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, Acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, Acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 150 MHz, Acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 175 MHz, Acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, Acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 225 MHz, Acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, Acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 250 MHz, Acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, Acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, Acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, Acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, Acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, Acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, Acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, Acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, Acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, Acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, Acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, Acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, Acetone-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

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

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 400.0, Acetone-d6, simulated)	[email protected]	Not Available	Not Available	2026-02-14	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100.0, Acetone-d6, simulated)	[email protected]	Not Available	Not Available	2026-02-13	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Clonostachys	Linington's dataset npmrd_submissions_20220207	34427432
Clonostachys rosea YRS-06		Not Available

Chemical Taxonomy

Classification

Not classified

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	1.79	ALOGPS
logP	1.56	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	14.23	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	82.63 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	94.12 m³·mol⁻¹	ChemAxon
Polarizability	36.92 Å³	ChemAxon
Number of Rings	5	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

Not Available

References

General References

Jiang CX, Yu B, Miao YM, Ren H, Xu Q, Zhao C, Tian LL, Yu ZQ, Zhou PP, Wang X, Fang J, Zhang J, Zhang JZ, Wu QX: Indole Alkaloids from a Soil-Derived Clonostachys rosea. J Nat Prod. 2021 Sep 24;84(9):2468-2474. doi: 10.1021/acs.jnatprod.1c00457. Epub 2021 Aug 24. [PubMed:34427432 ]
DOI: 10.1021/acs.jnatprod.1c00457
PMID: 34427432

Showing NP-Card for Clonorosin A (NP0044706)

MOL for NP0044706 (Clonorosin A)

3D MOL for NP0044706 (Clonorosin A)

3D SDF for NP0044706 (Clonorosin A)

3D-SDF for NP0044706 (Clonorosin A)

PDB for NP0044706 (Clonorosin A)

3D PDB for NP0044706 (Clonorosin A)

SMILES for NP0044706 (Clonorosin A)

INCHI for NP0044706 (Clonorosin A)

Structure for NP0044706 (Clonorosin A)

3D Structure for NP0044706 (Clonorosin A)