NP-MRD: Showing NP-Card for methyl 15-hydroxy-17-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate (NP0149523)

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Record Information

Version

2.0

Created at

2022-09-02 05:25:52 UTC

Updated at

2022-09-02 05:25:52 UTC

NP-MRD ID

NP0149523

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl 15-hydroxy-17-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate

Description

Methyl 15-hydroxy-17-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]Docosa-2(10),4,6,8,19-pentaene-20-carboxylate belongs to the class of organic compounds known as beta carbolines. Beta carbolines are compounds containing a 9H-pyrido[3,4-b]indole moiety. methyl 15-hydroxy-17-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate is found in Uncaria rhynchophylla. Based on a literature review very few articles have been published on methyl 15-hydroxy-17-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]Docosa-2(10),4,6,8,19-pentaene-20-carboxylate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022207252D          

 39 44  0  0  0  0            999 V2000
    3.5117   -2.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0162   -2.3390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1972   -2.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8737   -3.1973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7017   -1.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8827   -1.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3872   -1.2185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7106   -0.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2151    0.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    0.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0994    0.7603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9184    0.6610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4139    1.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2329    1.2213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0905    2.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0252   -1.0198    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  2  0  0  0  0
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 11 19  1  0  0  0  0
 19 20  1  0  0  0  0
  8 21  1  0  0  0  0
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 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
  5 39  1  0  0  0  0
 21 39  1  0  0  0  0
M  END

     RDKit          3D

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 39 73  1  0
M  END


  Mrv1652309022207252D          

 39 44  0  0  0  0            999 V2000
    3.5117   -2.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4886   -1.4379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3102   -1.3631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9156   -1.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7037   -1.6797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8864   -0.8752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2811   -0.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4930   -0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3826   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8498   -1.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0252   -1.0198    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  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  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  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  0  0  0  0
  8 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  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  2  0  0  0  0
 28 36  1  0  0  0  0
 31 36  1  0  0  0  0
 29 37  1  0  0  0  0
 25 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
  5 39  1  0  0  0  0
 21 39  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0149523

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C1=COC(OCC2OC(O)C(O)C(O)C2O)C2C1CC1N(CCC3=C1NC1=CC=CC=C31)CC2O

> <INCHI_IDENTIFIER>
InChI=1S/C27H34N2O10/c1-36-25(34)15-10-37-27(38-11-19-22(31)23(32)24(33)26(35)39-19)20-14(15)8-17-21-13(6-7-29(17)9-18(20)30)12-4-2-3-5-16(12)28-21/h2-5,10,14,17-20,22-24,26-28,30-33,35H,6-9,11H2,1H3

> <INCHI_KEY>
XAGPYTGPQVWFAA-UHFFFAOYSA-N

> <FORMULA>
C27H34N2O10

> <MOLECULAR_WEIGHT>
546.573

> <EXACT_MASS>
546.221345303

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
73

> <JCHEM_AVERAGE_POLARIZABILITY>
57.38475445041485

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl 15-hydroxy-17-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-18-oxa-3,13-diazapentacyclo[11.9.0.0^{2,10}.0^{4,9}.0^{16,21}]docosa-2(10),4,6,8,19-pentaene-20-carboxylate

> <ALOGPS_LOGP>
-0.11

> <JCHEM_LOGP>
-0.5240714719999994

> <ALOGPS_LOGS>
-2.22

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.684280592270142

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.297983879004311

> <JCHEM_PKA_STRONGEST_BASIC>
7.022161595105778

> <JCHEM_POLAR_SURFACE_AREA>
174.17000000000002

> <JCHEM_REFRACTIVITY>
134.6165

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.30e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl 15-hydroxy-17-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-18-oxa-3,13-diazapentacyclo[11.9.0.0^{2,10}.0^{4,9}.0^{16,21}]docosa-2(10),4,6,8,19-pentaene-20-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0       6.555  -5.597   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       5.630  -4.366   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       4.101  -4.552   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       3.498  -5.968   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       3.176  -3.320   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.648  -3.506   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       0.723  -2.274   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       1.327  -0.858   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       0.402   0.373   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -1.127   0.188   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.052   1.419   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -3.581   1.234   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -4.506   2.465   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -6.035   2.280   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -3.902   3.882   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -4.827   5.113   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -2.373   4.067   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -1.770   5.484   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -1.448   2.836   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       0.080   3.021   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       2.855  -0.672   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.241   0.818   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       2.065   1.813   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       4.647   1.446   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0       6.015   0.738   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0       7.174   1.753   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       8.632   1.256   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       8.931  -0.254   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       7.772  -1.269   0.000  0.00  0.00           C+0
HETATM   30  N   UNK     0       8.379  -2.684   0.000  0.00  0.00           N+0
HETATM   31  C   UNK     0       9.912  -2.544   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      11.042  -3.591   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      12.514  -3.135   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      12.855  -1.634   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      11.725  -0.587   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      10.254  -1.043   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       6.314  -0.772   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       5.320  -1.948   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       3.780  -1.904   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   39                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   21                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   19                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   11   20                                                  
CONECT   20   19                                                            
CONECT   21    8   22   39                                                  
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26   37                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   36                                                  
CONECT   29   28   30   37                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   36                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   28   31                                                  
CONECT   37   29   25   38                                                  
CONECT   38   37   39                                                       
CONECT   39   38    5   21                                                  
MASTER        0    0    0    0    0    0    0    0   39    0   88    0
END

View in JSmol

Synonyms

Value	Source
Methyl 15-hydroxy-17-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-18-oxa-3,13-diazapentacyclo[11.9.0.0,.0,.0,]docosa-2(10),4,6,8,19-pentaene-20-carboxylic acid	Generator

Chemical Formula

C₂₇H₃₄N₂O₁₀

Average Mass

546.5730 Da

Monoisotopic Mass

546.22135 Da

IUPAC Name

methyl 15-hydroxy-17-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-18-oxa-3,13-diazapentacyclo[11.9.0.0^{2,10}.0^{4,9}.0^{16,21}]docosa-2(10),4,6,8,19-pentaene-20-carboxylate

Traditional Name

methyl 15-hydroxy-17-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-18-oxa-3,13-diazapentacyclo[11.9.0.0^{2,10}.0^{4,9}.0^{16,21}]docosa-2(10),4,6,8,19-pentaene-20-carboxylate

CAS Registry Number

Not Available

SMILES

COC(=O)C1=COC(OCC2OC(O)C(O)C(O)C2O)C2C1CC1N(CCC3=C1NC1=CC=CC=C31)CC2O

InChI Identifier

InChI=1S/C27H34N2O10/c1-36-25(34)15-10-37-27(38-11-19-22(31)23(32)24(33)26(35)39-19)20-14(15)8-17-21-13(6-7-29(17)9-18(20)30)12-4-2-3-5-16(12)28-21/h2-5,10,14,17-20,22-24,26-28,30-33,35H,6-9,11H2,1H3

InChI Key

XAGPYTGPQVWFAA-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
Uncaria rhynchophylla	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as beta carbolines. Beta carbolines are compounds containing a 9H-pyrido[3,4-b]indole moiety.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Pyridoindoles

Direct Parent

Beta carbolines

Alternative Parents

Substituents

Beta-carboline
3-alkylindole
Indole
Azepane
Aralkylamine
Monosaccharide
Oxane
Benzenoid
Pyrrole
Methyl ester
Heteroaromatic compound
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Vinylogous ester
Tertiary aliphatic amine
Tertiary amine
Secondary alcohol
1,2-aminoalcohol
Amino acid or derivatives
Carboxylic acid ester
Hemiacetal
Acetal
Polyol
Azacycle
Oxacycle
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organopnictogen compound
Organic oxide
Carbonyl group
Organic oxygen compound
Organic nitrogen compound
Alcohol
Amine
Organonitrogen compound
Organooxygen 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	-0.11	ALOGPS
logP	-0.52	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	11.3	ChemAxon
pKa (Strongest Basic)	7.02	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	174.17 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	134.62 m³·mol⁻¹	ChemAxon
Polarizability	57.38 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	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

162954031

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for methyl 15-hydroxy-17-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate (NP0149523)

MOL for NP0149523 (methyl 15-hydroxy-17-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate)

3D MOL for NP0149523 (methyl 15-hydroxy-17-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate)

3D SDF for NP0149523 (methyl 15-hydroxy-17-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate)

3D-SDF for NP0149523 (methyl 15-hydroxy-17-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate)

PDB for NP0149523 (methyl 15-hydroxy-17-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate)

3D PDB for NP0149523 (methyl 15-hydroxy-17-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate)

SMILES for NP0149523 (methyl 15-hydroxy-17-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate)

INCHI for NP0149523 (methyl 15-hydroxy-17-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate)

Structure for NP0149523 (methyl 15-hydroxy-17-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate)

3D Structure for NP0149523 (methyl 15-hydroxy-17-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate)