NP-MRD: Showing NP-Card for 6,12-dihydroxy-4-(4-hydroxyphenyl)-7-(1h-indol-3-ylmethyl)-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadeca-5,11,15-triene-2,9-dione (NP0264847)

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Record Information

Version

2.0

Created at

2022-09-08 08:37:01 UTC

Updated at

2022-09-08 08:37:01 UTC

NP-MRD ID

NP0264847

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6,12-dihydroxy-4-(4-hydroxyphenyl)-7-(1h-indol-3-ylmethyl)-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadeca-5,11,15-triene-2,9-dione

Description

6,12-Dihydroxy-4-(4-hydroxyphenyl)-7-[(1H-indol-3-yl)methyl]-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadeca-5,11,15-triene-2,9-dione belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom. 6,12-dihydroxy-4-(4-hydroxyphenyl)-7-(1h-indol-3-ylmethyl)-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadeca-5,11,15-triene-2,9-dione is found in Chondromyces crocatus. 6,12-Dihydroxy-4-(4-hydroxyphenyl)-7-[(1H-indol-3-yl)methyl]-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadeca-5,11,15-triene-2,9-dione is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004191516312D          

 45 48  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1533004191516312D          

 45 48  0  0  0  0            999 V2000
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    4.2100    7.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6580    6.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9129    5.8472    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3609    5.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5539    5.4056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6158    4.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4228    4.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    3.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1928    2.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    2.1585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4623    2.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1768    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8913    2.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8913    3.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1768    3.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4623    3.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0638    3.8364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3187    3.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2568    4.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0019    4.7925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7048    3.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9597    2.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8978    3.5663    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6429    4.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1641    4.5225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1949    4.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9486    5.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9400    5.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4920    6.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2371    7.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7891    7.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5341    8.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2990    6.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4649    6.4603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0170    7.0734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8239    6.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0789    6.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8859    5.9457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5269    5.5041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7199    5.6757    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  2  0  0  0  0
  4  6  1  0  0  0  0
  6  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
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  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
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 13 21  1  0  0  0  0
 16 21  1  0  0  0  0
 11 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  4  0  0  0
  2 36  1  0  0  0  0
 36 37  1  0  0  0  0
 34 38  1  0  0  0  0
  7 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 44 45  2  0  0  0  0
 39 45  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0264847

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1OC(=O)CC(NC(=O)C(CC2=CNC3=CC=CC=C23)N(C)C(=O)C(C)NC(=O)C(C)CC(C)=CC1C)C1=CC=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C35H44N4O6/c1-20-15-21(2)24(5)45-32(41)18-30(25-11-13-27(40)14-12-25)38-34(43)31(17-26-19-36-29-10-8-7-9-28(26)29)39(6)35(44)23(4)37-33(42)22(3)16-20/h7-15,19,21-24,30-31,36,40H,16-18H2,1-6H3,(H,37,42)(H,38,43)

> <INCHI_KEY>
NCRSWJPOFRASIF-UHFFFAOYSA-N

> <FORMULA>
C35H44N4O6

> <MOLECULAR_WEIGHT>
616.759

> <EXACT_MASS>
616.326085153

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
89

> <JCHEM_AVERAGE_POLARIZABILITY>
67.60969367544949

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-(4-hydroxyphenyl)-7-[(1H-indol-3-yl)methyl]-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone

> <ALOGPS_LOGP>
3.68

> <JCHEM_LOGP>
4.207361838999998

> <ALOGPS_LOGS>
-5.34

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.625292016930848

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.480992898510733

> <JCHEM_PKA_STRONGEST_BASIC>
-1.0422181266826542

> <JCHEM_POLAR_SURFACE_AREA>
140.82999999999998

> <JCHEM_REFRACTIVITY>
171.9382

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.84e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-(4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 19-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-15         0                                  
HETATM    1  C   UNK     0       5.322  12.700   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.846  14.164   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       5.876  15.309   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       7.383  14.988   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       8.413  16.133   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       7.859  13.524   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.828  12.379   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0       7.304  10.915   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       6.274   9.770   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       4.767  10.091   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       6.750   8.306   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.256   7.986   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.732   6.521   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.827   5.275   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0       8.732   4.029   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0      10.196   4.505   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      11.530   3.735   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      12.864   4.505   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      12.864   6.045   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      11.530   6.815   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      10.196   6.045   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0       5.719   7.161   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0       6.195   5.697   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.213   7.481   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       3.737   8.946   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       3.182   6.337   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       3.658   4.872   0.000  0.00  0.00           C+0
HETATM   28  N   UNK     0       1.676   6.657   0.000  0.00  0.00           N+0
HETATM   29  C   UNK     0       1.200   8.122   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -0.306   8.442   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       2.230   9.266   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       3.637   9.893   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       1.755  10.731   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       2.785  11.875   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       2.309  13.340   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       3.340  14.484   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       2.864  15.949   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       4.291  11.555   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       8.335  12.059   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       9.365  13.204   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      10.871  12.883   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      11.347  11.419   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      12.854  11.099   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      10.317  10.274   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       8.810  10.595   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   36                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8   39                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   22                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   21                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   21                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   13   16                                                  
CONECT   22   11   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33   35   38                                                  
CONECT   35   34   36                                                       
CONECT   36   35    2   37                                                  
CONECT   37   36                                                            
CONECT   38   34                                                            
CONECT   39    7   40   45                                                  
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   45                                                       
CONECT   45   44   39                                                       
MASTER        0    0    0    0    0    0    0    0   45    0   96    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₅H₄₄N₄O₆

Average Mass

616.7590 Da

Monoisotopic Mass

616.32609 Da

IUPAC Name

4-(4-hydroxyphenyl)-7-[(1H-indol-3-yl)methyl]-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone

Traditional Name

4-(4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone

CAS Registry Number

Not Available

SMILES

CC1OC(=O)CC(NC(=O)C(CC2=CNC3=CC=CC=C23)N(C)C(=O)C(C)NC(=O)C(C)CC(C)=CC1C)C1=CC=C(O)C=C1

InChI Identifier

InChI=1S/C35H44N4O6/c1-20-15-21(2)24(5)45-32(41)18-30(25-11-13-27(40)14-12-25)38-34(43)31(17-26-19-36-29-10-8-7-9-28(26)29)39(6)35(44)23(4)37-33(42)22(3)16-20/h7-15,19,21-24,30-31,36,40H,16-18H2,1-6H3,(H,37,42)(H,38,43)

InChI Key

NCRSWJPOFRASIF-UHFFFAOYSA-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
Chondromyces crocatus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Dihydrofurans

Sub Class

Furanones

Direct Parent

Butenolides

Alternative Parents

Substituents

2-furanone
Enol ester
Tetrahydrofuran
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Carboxylic acid ester
Lactone
Monocarboxylic acid or derivatives
Ether
Dialkyl ether
Carboxylic acid derivative
Oxacycle
Organooxygen compound
Organic oxygen compound
Organic oxide
Carbonyl group
Hydrocarbon derivative
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	3.68	ALOGPS
logP	4.21	ChemAxon
logS	-5.3	ALOGPS
pKa (Strongest Acidic)	9.48	ChemAxon
pKa (Strongest Basic)	-1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	140.83 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	171.94 m³·mol⁻¹	ChemAxon
Polarizability	67.61 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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

74423379

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 6,12-dihydroxy-4-(4-hydroxyphenyl)-7-(1h-indol-3-ylmethyl)-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadeca-5,11,15-triene-2,9-dione (NP0264847)

MOL for NP0264847 (6,12-dihydroxy-4-(4-hydroxyphenyl)-7-(1h-indol-3-ylmethyl)-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadeca-5,11,15-triene-2,9-dione)

3D MOL for NP0264847 (6,12-dihydroxy-4-(4-hydroxyphenyl)-7-(1h-indol-3-ylmethyl)-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadeca-5,11,15-triene-2,9-dione)

3D SDF for NP0264847 (6,12-dihydroxy-4-(4-hydroxyphenyl)-7-(1h-indol-3-ylmethyl)-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadeca-5,11,15-triene-2,9-dione)

3D-SDF for NP0264847 (6,12-dihydroxy-4-(4-hydroxyphenyl)-7-(1h-indol-3-ylmethyl)-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadeca-5,11,15-triene-2,9-dione)

PDB for NP0264847 (6,12-dihydroxy-4-(4-hydroxyphenyl)-7-(1h-indol-3-ylmethyl)-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadeca-5,11,15-triene-2,9-dione)

3D PDB for NP0264847 (6,12-dihydroxy-4-(4-hydroxyphenyl)-7-(1h-indol-3-ylmethyl)-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadeca-5,11,15-triene-2,9-dione)

SMILES for NP0264847 (6,12-dihydroxy-4-(4-hydroxyphenyl)-7-(1h-indol-3-ylmethyl)-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadeca-5,11,15-triene-2,9-dione)

INCHI for NP0264847 (6,12-dihydroxy-4-(4-hydroxyphenyl)-7-(1h-indol-3-ylmethyl)-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadeca-5,11,15-triene-2,9-dione)

Structure for NP0264847 (6,12-dihydroxy-4-(4-hydroxyphenyl)-7-(1h-indol-3-ylmethyl)-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadeca-5,11,15-triene-2,9-dione)

3D Structure for NP0264847 (6,12-dihydroxy-4-(4-hydroxyphenyl)-7-(1h-indol-3-ylmethyl)-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadeca-5,11,15-triene-2,9-dione)