NP-MRD: Showing NP-Card for 3-benzyl-19-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15,17,19-heptaene-4,14,21-trione (NP0202963)

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Record Information

Version

2.0

Created at

2022-09-04 22:17:59 UTC

Updated at

2022-09-04 22:17:59 UTC

NP-MRD ID

NP0202963

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-benzyl-19-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15,17,19-heptaene-4,14,21-trione

Description

3-Benzyl-19-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]Henicosa-1(13),7(12),8,10,15(20),16,18-heptaene-4,14,21-trione belongs to the class of organic compounds known as phenanthridines and derivatives. These are polycyclic compounds containing a phenanthridine moiety, which is a tricyclic system with two benzene rings joined by a pyridine forming a non-linear skeleton. Hydrogenated derivatives are also included. 3-benzyl-19-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15,17,19-heptaene-4,14,21-trione is found in Streptomyces venezuelae. 3-Benzyl-19-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]Henicosa-1(13),7(12),8,10,15(20),16,18-heptaene-4,14,21-trione is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004161523552D          

 43 49  0  0  0  0            999 V2000
    1.5864    2.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1533004161523552D          

 43 49  0  0  0  0            999 V2000
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    5.1546    3.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1387    4.1556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8451    4.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5674    4.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5833    3.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3622    2.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5181    2.8689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9260    1.4564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5274    0.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7974   -0.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6075   -0.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8776   -0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6877   -1.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3375   -1.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5274   -1.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9873   -2.0723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2573   -0.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3670    0.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0970    1.2018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8269   -0.2014    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
  6  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  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
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 23 28  1  0  0  0  0
 21 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
 20 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 18 40  1  0  0  0  0
 33 40  1  0  0  0  0
 19 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 11 43  1  0  0  0  0
 15 43  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0202963

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1OC(CC(O)C1O)OC1=CC=CC2=C1C(=O)C1=C(C2=O)C2=C(O)C=C(C)C=C2C2OC(=O)C(CC3=CC=CC=C3)N12

> <INCHI_IDENTIFIER>
InChI=1S/C33H29NO9/c1-15-11-19-25(21(35)12-15)27-28(34-20(33(40)43-32(19)34)13-17-7-4-3-5-8-17)31(39)26-18(30(27)38)9-6-10-23(26)42-24-14-22(36)29(37)16(2)41-24/h3-12,16,20,22,24,29,32,35-37H,13-14H2,1-2H3

> <INCHI_KEY>
OCASEYRRLPLBRV-UHFFFAOYSA-N

> <FORMULA>
C33H29NO9

> <MOLECULAR_WEIGHT>
583.593

> <EXACT_MASS>
583.184231518

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
72

> <JCHEM_AVERAGE_POLARIZABILITY>
58.780931401093426

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-benzyl-19-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15(20),16,18-heptaene-4,14,21-trione

> <ALOGPS_LOGP>
2.89

> <JCHEM_LOGP>
4.162514569666666

> <ALOGPS_LOGS>
-3.92

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.864336822336568

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.183421684534077

> <JCHEM_PKA_STRONGEST_BASIC>
-3.2528866875223716

> <JCHEM_POLAR_SURFACE_AREA>
142.83

> <JCHEM_REFRACTIVITY>
153.71230000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.06e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-benzyl-19-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15(20),16,18-heptaene-4,14,21-trione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 16-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-APR-15         0                                  
HETATM    1  C   UNK     0       2.961   4.863   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.465   3.408   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       4.978   3.117   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       5.482   1.661   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.473   0.497   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.961   0.788   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       1.953  -0.376   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       2.457   2.243   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       0.945   2.534   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       6.994   1.370   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       7.498  -0.085   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.490  -1.249   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.994  -2.704   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.506  -2.995   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.514  -1.831   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      11.027  -2.122   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      11.531  -3.577   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      12.035  -0.958   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      11.531   0.497   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0      12.539   1.661   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0      12.348   3.190   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      11.000   3.934   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      10.970   5.473   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.622   6.217   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       9.592   7.757   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      10.911   8.553   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      12.259   7.809   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      12.289   6.269   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      13.743   3.843   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      14.034   5.355   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      14.795   2.719   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      14.051   1.370   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      14.555  -0.085   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      16.067  -0.376   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      16.571  -1.831   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      18.084  -2.122   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      15.563  -2.995   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      14.051  -2.704   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      13.043  -3.868   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      13.547  -1.249   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      10.018   0.788   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0       9.514   2.243   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0       9.010  -0.376   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    8                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   10                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    2    9                                                  
CONECT    9    8                                                            
CONECT   10    4   11                                                       
CONECT   11   10   12   43                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   43                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   40                                                  
CONECT   19   18   20   41                                                  
CONECT   20   19   21   32                                                  
CONECT   21   20   22   29                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   28                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   23                                                       
CONECT   29   21   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32                                                       
CONECT   32   31   20   33                                                  
CONECT   33   32   34   40                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   18   33                                                  
CONECT   41   19   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41   11   15                                                  
MASTER        0    0    0    0    0    0    0    0   43    0   98    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₃H₂₉NO₉

Average Mass

583.5930 Da

Monoisotopic Mass

583.18423 Da

IUPAC Name

3-benzyl-19-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15(20),16,18-heptaene-4,14,21-trione

Traditional Name

3-benzyl-19-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15(20),16,18-heptaene-4,14,21-trione

CAS Registry Number

Not Available

SMILES

CC1OC(CC(O)C1O)OC1=CC=CC2=C1C(=O)C1=C(C2=O)C2=C(O)C=C(C)C=C2C2OC(=O)C(CC3=CC=CC=C3)N12

InChI Identifier

InChI=1S/C33H29NO9/c1-15-11-19-25(21(35)12-15)27-28(34-20(33(40)43-32(19)34)13-17-7-4-3-5-8-17)31(39)26-18(30(27)38)9-6-10-23(26)42-24-14-22(36)29(37)16(2)41-24/h3-12,16,20,22,24,29,32,35-37H,13-14H2,1-2H3

InChI Key

OCASEYRRLPLBRV-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
Streptomyces venezuelae	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenanthridines and derivatives. These are polycyclic compounds containing a phenanthridine moiety, which is a tricyclic system with two benzene rings joined by a pyridine forming a non-linear skeleton. Hydrogenated derivatives are also included.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Quinolines and derivatives

Sub Class

Benzoquinolines

Direct Parent

Phenanthridines and derivatives

Alternative Parents

Substituents

Phenanthridine
Alpha-amino acid ester
Quinoline quinone
Naphthoquinone
Hexose monosaccharide
O-glycosyl compound
Glycosyl compound
Alpha-amino acid or derivatives
Naphthalene
Aryl ketone
Quinone
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Benzenoid
Monosaccharide
Oxazolidinone
Monocyclic benzene moiety
Oxane
Vinylogous amide
Oxazolidine
Lactone
Ketone
Secondary alcohol
Carboxylic acid ester
1,2-diol
Acetal
Carboxylic acid derivative
Enamine
Oxacycle
Azacycle
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organic nitrogen compound
Carbonyl group
Organic oxide
Alcohol
Organic oxygen compound
Organopnictogen compound
Organooxygen compound
Organonitrogen 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	2.89	ALOGPS
logP	4.16	ChemAxon
logS	-3.9	ALOGPS
pKa (Strongest Acidic)	8.18	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	142.83 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	153.71 m³·mol⁻¹	ChemAxon
Polarizability	58.78 Å³	ChemAxon
Number of Rings	7	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

76010709

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3-benzyl-19-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15,17,19-heptaene-4,14,21-trione (NP0202963)

MOL for NP0202963 (3-benzyl-19-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15,17,19-heptaene-4,14,21-trione)

3D MOL for NP0202963 (3-benzyl-19-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15,17,19-heptaene-4,14,21-trione)

3D SDF for NP0202963 (3-benzyl-19-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15,17,19-heptaene-4,14,21-trione)

3D-SDF for NP0202963 (3-benzyl-19-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15,17,19-heptaene-4,14,21-trione)

PDB for NP0202963 (3-benzyl-19-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15,17,19-heptaene-4,14,21-trione)

3D PDB for NP0202963 (3-benzyl-19-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15,17,19-heptaene-4,14,21-trione)

SMILES for NP0202963 (3-benzyl-19-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15,17,19-heptaene-4,14,21-trione)

INCHI for NP0202963 (3-benzyl-19-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15,17,19-heptaene-4,14,21-trione)

Structure for NP0202963 (3-benzyl-19-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15,17,19-heptaene-4,14,21-trione)

3D Structure for NP0202963 (3-benzyl-19-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15,17,19-heptaene-4,14,21-trione)