NP-MRD: Showing NP-Card for 7-amino-25-chloro-20-{[5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy}-4-hydroxy-9-oxo-2,10-dioxatetracyclo[11.7.3.2³,⁶.0¹⁶,²⁰]pentacosa-3,5,13(23),16,18,24-hexaen-14,21-diyn-12-yl 3-hydroxy-7-methoxy-2-methylidene-1,4-benzoxazine-5-carboxylate (NP0323053)

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Record Information

Version

2.0

Created at

2022-09-12 02:13:23 UTC

Updated at

2022-09-12 02:13:24 UTC

NP-MRD ID

NP0323053

Secondary Accession Numbers

None

Natural Product Identification

Common Name

7-amino-25-chloro-20-{[5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy}-4-hydroxy-9-oxo-2,10-dioxatetracyclo[11.7.3.2³,⁶.0¹⁶,²⁰]pentacosa-3,5,13(23),16,18,24-hexaen-14,21-diyn-12-yl 3-hydroxy-7-methoxy-2-methylidene-1,4-benzoxazine-5-carboxylate

Description

7-Amino-4-chloro-20-{[5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy}-25-hydroxy-9-oxo-2,10-dioxatetracyclo[11.7.3.2³,⁶.0¹⁶,²⁰]Pentacosa-3,5,13(23),16,18,24-hexaen-14,21-diyn-12-yl 3-hydroxy-7-methoxy-2-methylidene-2H-1,4-benzoxazine-5-carboxylate belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars. 7-amino-25-chloro-20-{[5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy}-4-hydroxy-9-oxo-2,10-dioxatetracyclo[11.7.3.2³,⁶.0¹⁶,²⁰]pentacosa-3,5,13(23),16,18,24-hexaen-14,21-diyn-12-yl 3-hydroxy-7-methoxy-2-methylidene-1,4-benzoxazine-5-carboxylate is found in Streptomyces globisporus. Based on a literature review very few articles have been published on 7-amino-4-chloro-20-{[5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy}-25-hydroxy-9-oxo-2,10-dioxatetracyclo[11.7.3.2³,⁶.0¹⁶,²⁰]Pentacosa-3,5,13(23),16,18,24-hexaen-14,21-diyn-12-yl 3-hydroxy-7-methoxy-2-methylidene-2H-1,4-benzoxazine-5-carboxylate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309122204132D          

 60 66  0  0  0  0            999 V2000
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M  END

     RDKit          3D

102108  0  0  0  0  0  0  0  0999 V2000
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M  END


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M  END
> <DATABASE_ID>
NP0323053

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(C(=O)OC2COC(=O)CC(N)C3=CC(O)=C(OC4C#CC=C2C#CC2=CC=CC42OC2OC(C)(C)C(C(O)C2O)N(C)C)C(Cl)=C3)=C2N=C(O)C(=C)OC2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C43H42ClN3O13/c1-21-39(52)46-34-26(17-25(54-6)18-30(34)56-21)40(53)57-31-20-55-33(49)19-28(45)23-15-27(44)37(29(48)16-23)58-32-11-7-9-22(31)12-13-24-10-8-14-43(24,32)60-41-36(51)35(50)38(47(4)5)42(2,3)59-41/h8-10,14-18,28,31-32,35-36,38,41,48,50-51H,1,19-20,45H2,2-6H3,(H,46,52)

> <INCHI_KEY>
DGGZCXUXASNDAC-UHFFFAOYSA-N

> <FORMULA>
C43H42ClN3O13

> <MOLECULAR_WEIGHT>
844.27

> <EXACT_MASS>
843.2406161

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
102

> <JCHEM_AVERAGE_POLARIZABILITY>
83.52525120515625

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
7-amino-25-chloro-20-{[5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy}-4-hydroxy-9-oxo-2,10-dioxatetracyclo[11.7.3.2^{3,6}.0^{16,20}]pentacosa-3,5,13(23),16,18,24-hexaen-14,21-diyn-12-yl 3-hydroxy-7-methoxy-2-methylidene-2H-1,4-benzoxazine-5-carboxylate

> <JCHEM_LOGP>
0.9397531220853296

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA>
9.257488157968359

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.1888103416438645

> <JCHEM_PKA_STRONGEST_BASIC>
8.567495288167644

> <JCHEM_POLAR_SURFACE_AREA>
221.29

> <JCHEM_REFRACTIVITY>
220.14770000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
7-amino-25-chloro-20-{[5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy}-4-hydroxy-9-oxo-2,10-dioxatetracyclo[11.7.3.2^{3,6}.0^{16,20}]pentacosa-3,5,13(23),16,18,24-hexaen-14,21-diyn-12-yl 3-hydroxy-7-methoxy-2-methylidene-1,4-benzoxazine-5-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0      -3.846  -4.934   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.512  -5.704   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -1.178  -4.934   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       0.155  -5.704   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.489  -4.934   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.823  -5.704   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       4.157  -4.934   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       5.490  -5.704   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.823  -7.244   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.489  -8.014   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.489  -9.554   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       2.823 -10.324   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       0.155 -10.324   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       0.155 -11.864   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.736 -12.204   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       2.887 -13.307   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       3.433 -14.820   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       4.958 -14.603   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       3.330 -16.442   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.627 -17.877   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0       3.772 -18.907   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0       1.249 -18.743   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.214 -19.936   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.311 -19.704   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -2.229 -20.940   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -1.995 -18.265   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -0.919 -17.146   0.000  0.00  0.00           C+0
HETATM   28 Cl   UNK     0      -1.434 -15.695   0.000  0.00  0.00          Cl+0
HETATM   29  C   UNK     0       0.599 -17.334   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -3.396 -17.334   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -4.268 -15.891   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -2.793 -15.855   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -1.448 -15.081   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -0.972 -13.659   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -1.431 -12.205   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -2.830 -11.498   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -4.340 -11.771   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -5.344 -12.997   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -6.833 -12.605   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -7.666 -13.900   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -6.692 -15.092   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -5.257 -14.535   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      -5.690 -16.013   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      -7.187 -16.376   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      -8.250 -15.262   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0      -9.746 -15.626   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      -9.845 -14.089   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0     -11.277 -15.456   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0     -10.179 -17.104   0.000  0.00  0.00           C+0
HETATM   50  N   UNK     0     -11.676 -17.468   0.000  0.00  0.00           N+0
HETATM   51  C   UNK     0     -12.739 -16.353   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0     -12.109 -18.945   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      -9.116 -18.218   0.000  0.00  0.00           C+0
HETATM   54  O   UNK     0      -9.549 -19.696   0.000  0.00  0.00           O+0
HETATM   55  C   UNK     0      -7.620 -17.854   0.000  0.00  0.00           C+0
HETATM   56  O   UNK     0      -6.557 -18.968   0.000  0.00  0.00           O+0
HETATM   57  C   UNK     0       0.155  -7.244   0.000  0.00  0.00           C+0
HETATM   58  N   UNK     0      -1.178  -8.014   0.000  0.00  0.00           N+0
HETATM   59  C   UNK     0      -2.512  -7.244   0.000  0.00  0.00           C+0
HETATM   60  O   UNK     0      -3.846  -8.014   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   59                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   57                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    9                                                  
CONECT    7    6    8                                                       
CONECT    8    7                                                            
CONECT    9    6   10                                                       
CONECT   10    9   11   57                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15   35                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   29                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   30                                                  
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   22                                                       
CONECT   30   26   31                                                       
CONECT   31   30   32   42                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   14   36                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39   42                                                  
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   38   31   43                                             
CONECT   43   42   44                                                       
CONECT   44   43   45   55                                                  
CONECT   45   44   46                                                       
CONECT   46   45   47   48   49                                             
CONECT   47   46                                                            
CONECT   48   46                                                            
CONECT   49   46   50   53                                                  
CONECT   50   49   51   52                                                  
CONECT   51   50                                                            
CONECT   52   50                                                            
CONECT   53   49   54   55                                                  
CONECT   54   53                                                            
CONECT   55   53   44   56                                                  
CONECT   56   55                                                            
CONECT   57   10    4   58                                                  
CONECT   58   57   59                                                       
CONECT   59   58    2   60                                                  
CONECT   60   59                                                            
MASTER        0    0    0    0    0    0    0    0   60    0  132    0
END

View in JSmol

Synonyms

Value	Source
7-Amino-4-chloro-20-{[5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy}-25-hydroxy-9-oxo-2,10-dioxatetracyclo[11.7.3.2,.0,]pentacosa-3,5,13(23),16,18,24-hexaen-14,21-diyn-12-yl 3-hydroxy-7-methoxy-2-methylidene-2H-1,4-benzoxazine-5-carboxylic acid	Generator

Chemical Formula

C₄₃H₄₂ClN₃O₁₃

Average Mass

844.2700 Da

Monoisotopic Mass

843.24062 Da

IUPAC Name

7-amino-25-chloro-20-{[5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy}-4-hydroxy-9-oxo-2,10-dioxatetracyclo[11.7.3.2^{3,6}.0^{16,20}]pentacosa-3,5,13(23),16,18,24-hexaen-14,21-diyn-12-yl 3-hydroxy-7-methoxy-2-methylidene-2H-1,4-benzoxazine-5-carboxylate

Traditional Name

CAS Registry Number

Not Available

SMILES

COC1=CC(C(=O)OC2COC(=O)CC(N)C3=CC(O)=C(OC4C#CC=C2C#CC2=CC=CC42OC2OC(C)(C)C(C(O)C2O)N(C)C)C(Cl)=C3)=C2N=C(O)C(=C)OC2=C1

InChI Identifier

InChI=1S/C43H42ClN3O13/c1-21-39(52)46-34-26(17-25(54-6)18-30(34)56-21)40(53)57-31-20-55-33(49)19-28(45)23-15-27(44)37(29(48)16-23)58-32-11-7-9-22(31)12-13-24-10-8-14-43(24,32)60-41-36(51)35(50)38(47(4)5)42(2,3)59-41/h8-10,14-18,28,31-32,35-36,38,41,48,50-51H,1,19-20,45H2,2-6H3,(H,46,52)

InChI Key

DGGZCXUXASNDAC-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 globisporus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Aminoglycosides

Alternative Parents

Substituents

Aminoglycoside core
Macrolide
Hexose monosaccharide
Benzoxazinone
M-methoxybenzoic acid or derivatives
Benzomorpholine
Benzoxazine
Anisole
Alkyl aryl ether
Aralkylamine
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Aryl chloride
Aryl halide
Dicarboxylic acid or derivatives
Benzenoid
Monosaccharide
Oxane
Oxazinane
Vinylogous amide
1,2-diol
Tertiary aliphatic amine
1,2-aminoalcohol
Carboxamide group
Carboxylic acid ester
Lactam
Tertiary amine
Secondary carboxylic acid amide
Secondary alcohol
Amino acid or derivatives
Lactone
Organoheterocyclic compound
Ether
Oxacycle
Azacycle
Carboxylic acid derivative
Acetal
Organonitrogen compound
Carbonyl group
Alcohol
Hydrocarbon derivative
Organopnictogen compound
Organic nitrogen compound
Amine
Organic oxide
Primary amine
Primary aliphatic amine
Organohalogen compound
Organochloride
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	0.94	ChemAxon
pKa (Strongest Acidic)	3.19	ChemAxon
pKa (Strongest Basic)	8.57	ChemAxon
Physiological Charge	2	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	221.29 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	220.15 m³·mol⁻¹	ChemAxon
Polarizability	83.53 Å³	ChemAxon
Number of Rings	7	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

5232835

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6829049

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 7-amino-25-chloro-20-{[5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy}-4-hydroxy-9-oxo-2,10-dioxatetracyclo[11.7.3.2³,⁶.0¹⁶,²⁰]pentacosa-3,5,13(23),16,18,24-hexaen-14,21-diyn-12-yl 3-hydroxy-7-methoxy-2-methylidene-1,4-benzoxazine-5-carboxylate (NP0323053)

MOL for NP0323053 (7-amino-25-chloro-20-{[5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy}-4-hydroxy-9-oxo-2,10-dioxatetracyclo[11.7.3.2³,⁶.0¹⁶,²⁰]pentacosa-3,5,13(23),16,18,24-hexaen-14,21-diyn-12-yl 3-hydroxy-7-methoxy-2-methylidene-1,4-benzoxazine-5-carboxylate)

3D MOL for NP0323053 (7-amino-25-chloro-20-{[5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy}-4-hydroxy-9-oxo-2,10-dioxatetracyclo[11.7.3.2³,⁶.0¹⁶,²⁰]pentacosa-3,5,13(23),16,18,24-hexaen-14,21-diyn-12-yl 3-hydroxy-7-methoxy-2-methylidene-1,4-benzoxazine-5-carboxylate)

3D SDF for NP0323053 (7-amino-25-chloro-20-{[5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy}-4-hydroxy-9-oxo-2,10-dioxatetracyclo[11.7.3.2³,⁶.0¹⁶,²⁰]pentacosa-3,5,13(23),16,18,24-hexaen-14,21-diyn-12-yl 3-hydroxy-7-methoxy-2-methylidene-1,4-benzoxazine-5-carboxylate)

3D-SDF for NP0323053 (7-amino-25-chloro-20-{[5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy}-4-hydroxy-9-oxo-2,10-dioxatetracyclo[11.7.3.2³,⁶.0¹⁶,²⁰]pentacosa-3,5,13(23),16,18,24-hexaen-14,21-diyn-12-yl 3-hydroxy-7-methoxy-2-methylidene-1,4-benzoxazine-5-carboxylate)

PDB for NP0323053 (7-amino-25-chloro-20-{[5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy}-4-hydroxy-9-oxo-2,10-dioxatetracyclo[11.7.3.2³,⁶.0¹⁶,²⁰]pentacosa-3,5,13(23),16,18,24-hexaen-14,21-diyn-12-yl 3-hydroxy-7-methoxy-2-methylidene-1,4-benzoxazine-5-carboxylate)

3D PDB for NP0323053 (7-amino-25-chloro-20-{[5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy}-4-hydroxy-9-oxo-2,10-dioxatetracyclo[11.7.3.2³,⁶.0¹⁶,²⁰]pentacosa-3,5,13(23),16,18,24-hexaen-14,21-diyn-12-yl 3-hydroxy-7-methoxy-2-methylidene-1,4-benzoxazine-5-carboxylate)

SMILES for NP0323053 (7-amino-25-chloro-20-{[5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy}-4-hydroxy-9-oxo-2,10-dioxatetracyclo[11.7.3.2³,⁶.0¹⁶,²⁰]pentacosa-3,5,13(23),16,18,24-hexaen-14,21-diyn-12-yl 3-hydroxy-7-methoxy-2-methylidene-1,4-benzoxazine-5-carboxylate)

INCHI for NP0323053 (7-amino-25-chloro-20-{[5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy}-4-hydroxy-9-oxo-2,10-dioxatetracyclo[11.7.3.2³,⁶.0¹⁶,²⁰]pentacosa-3,5,13(23),16,18,24-hexaen-14,21-diyn-12-yl 3-hydroxy-7-methoxy-2-methylidene-1,4-benzoxazine-5-carboxylate)

Structure for NP0323053 (7-amino-25-chloro-20-{[5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy}-4-hydroxy-9-oxo-2,10-dioxatetracyclo[11.7.3.2³,⁶.0¹⁶,²⁰]pentacosa-3,5,13(23),16,18,24-hexaen-14,21-diyn-12-yl 3-hydroxy-7-methoxy-2-methylidene-1,4-benzoxazine-5-carboxylate)

3D Structure for NP0323053 (7-amino-25-chloro-20-{[5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy}-4-hydroxy-9-oxo-2,10-dioxatetracyclo[11.7.3.2³,⁶.0¹⁶,²⁰]pentacosa-3,5,13(23),16,18,24-hexaen-14,21-diyn-12-yl 3-hydroxy-7-methoxy-2-methylidene-1,4-benzoxazine-5-carboxylate)