NP-MRD: Showing NP-Card for 12-(3,4-dimethoxyphenyl)-1-hydroxy-21-methoxy-11-phenyl-13,17,19-trioxa-3,8-diazahexacyclo[10.10.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁶,²⁰]docosa-2(10),3,14,16(20),21-pentaen-9-one (NP0231886)

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Record Information

Version

2.0

Created at

2022-09-06 12:55:40 UTC

Updated at

2022-09-06 12:55:40 UTC

NP-MRD ID

NP0231886

Secondary Accession Numbers

None

Natural Product Identification

Common Name

12-(3,4-dimethoxyphenyl)-1-hydroxy-21-methoxy-11-phenyl-13,17,19-trioxa-3,8-diazahexacyclo[10.10.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁶,²⁰]docosa-2(10),3,14,16(20),21-pentaen-9-one

Description

12-(3,4-Dimethoxyphenyl)-1-hydroxy-21-methoxy-11-phenyl-13,17,19-trioxa-3,8-diazahexacyclo[10.10.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁶,²⁰]Docosa-2(10),3,14,16(20),21-pentaen-9-one belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. 12-(3,4-dimethoxyphenyl)-1-hydroxy-21-methoxy-11-phenyl-13,17,19-trioxa-3,8-diazahexacyclo[10.10.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁶,²⁰]docosa-2(10),3,14,16(20),21-pentaen-9-one is found in Aglaia elaeagnoidea. 12-(3,4-Dimethoxyphenyl)-1-hydroxy-21-methoxy-11-phenyl-13,17,19-trioxa-3,8-diazahexacyclo[10.10.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁶,²⁰]Docosa-2(10),3,14,16(20),21-pentaen-9-one is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004231515442D          

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M  END

     RDKit          3D

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M  END


  Mrv1533004231515442D          

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    3.2134    0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7285    0.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2134   -0.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9585   -1.4365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5105   -2.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2556   -2.8342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4486   -3.0057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8966   -2.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1515   -1.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9080    0.1018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4231   -0.5656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5724    0.8555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7878    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7878    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5724    2.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0574    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8779    1.4367    0.0000 N   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
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 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  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 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
 20 23  2  0  0  0  0
 13 23  1  0  0  0  0
 23 24  1  0  0  0  0
 11 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 11 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  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
 29 34  1  0  0  0  0
 27 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 37 41  1  0  0  0  0
 41 42  2  0  0  0  0
 26 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0231886

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C(C=C1OC)C12OC3=CC4=C(OCO4)C(OC)=C3C1(O)C1=C(C2C2=CC=CC=C2)C(=O)N2CCCC2=N1

> <INCHI_IDENTIFIER>
InChI=1S/C32H28N2O8/c1-37-19-12-11-18(14-20(19)38-2)32-25(17-8-5-4-6-9-17)24-29(33-23-10-7-13-34(23)30(24)35)31(32,36)26-21(42-32)15-22-27(28(26)39-3)41-16-40-22/h4-6,8-9,11-12,14-15,25,36H,7,10,13,16H2,1-3H3

> <INCHI_KEY>
GPVCSDKMUZPMPD-UHFFFAOYSA-N

> <FORMULA>
C32H28N2O8

> <MOLECULAR_WEIGHT>
568.582

> <EXACT_MASS>
568.18456587

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
70

> <JCHEM_AVERAGE_POLARIZABILITY>
58.8936642396279

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
12-(3,4-dimethoxyphenyl)-1-hydroxy-21-methoxy-11-phenyl-13,17,19-trioxa-3,8-diazahexacyclo[10.10.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁶,²⁰]docosa-2(10),3,14,16(20),21-pentaen-9-one

> <ALOGPS_LOGP>
3.04

> <JCHEM_LOGP>
2.7545934889999995

> <ALOGPS_LOGS>
-4.36

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.319760186640911

> <JCHEM_PKA_STRONGEST_BASIC>
-1.1897293059802903

> <JCHEM_POLAR_SURFACE_AREA>
108.28

> <JCHEM_REFRACTIVITY>
149.69209999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.49e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
12-(3,4-dimethoxyphenyl)-1-hydroxy-21-methoxy-11-phenyl-13,17,19-trioxa-3,8-diazahexacyclo[10.10.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁶,²⁰]docosa-2(10),3,14,16(20),21-pentaen-9-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 23-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-APR-15         0                                  
HETATM    1  C   UNK     0      10.873  -6.920   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       9.367  -6.599   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       8.891  -5.135   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.921  -3.990   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.445  -2.526   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.939  -2.206   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.908  -3.350   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.384  -4.815   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       6.354  -5.959   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       6.830  -7.424   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       7.463  -0.741   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       8.928  -1.217   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       9.833   0.029   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      11.364   0.190   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      11.991   1.597   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      13.455   2.073   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      13.455   3.613   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      11.991   4.089   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      11.086   2.843   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.554   2.682   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       8.649   3.928   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       9.275   5.335   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.928   1.275   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       7.463   0.799   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       7.463   2.339   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       5.998   1.275   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.093   0.029   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.998  -1.217   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.522  -2.681   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       6.553  -3.826   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       6.077  -5.290   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.571  -5.611   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       3.540  -4.466   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       4.016  -3.002   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       3.562   0.190   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       2.656  -1.056   0.000  0.00  0.00           O+0
HETATM   37  N   UNK     0       2.935   1.597   0.000  0.00  0.00           N+0
HETATM   38  C   UNK     0       1.471   2.073   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       1.471   3.613   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       2.935   4.089   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       3.840   2.843   0.000  0.00  0.00           C+0
HETATM   42  N   UNK     0       5.372   2.682   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   11                                                  
CONECT    7    6    8                                                       
CONECT    8    7    3    9                                                  
CONECT    9    8   10                                                       
CONECT   10    9                                                            
CONECT   11    6   12   24   28                                             
CONECT   12   11   13                                                       
CONECT   13   12   14   23                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   19                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   15   20                                                  
CONECT   20   19   21   23                                                  
CONECT   21   20   22                                                       
CONECT   22   21                                                            
CONECT   23   20   13   24                                                  
CONECT   24   23   11   25   26                                             
CONECT   25   24                                                            
CONECT   26   24   27   42                                                  
CONECT   27   26   28   35                                                  
CONECT   28   27   11   29                                                  
CONECT   29   28   30   34                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   29                                                       
CONECT   35   27   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38   41                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   37   42                                                  
CONECT   42   41   26                                                       
MASTER        0    0    0    0    0    0    0    0   42    0   98    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₂H₂₈N₂O₈

Average Mass

568.5820 Da

Monoisotopic Mass

568.18457 Da

IUPAC Name

12-(3,4-dimethoxyphenyl)-1-hydroxy-21-methoxy-11-phenyl-13,17,19-trioxa-3,8-diazahexacyclo[10.10.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁶,²⁰]docosa-2(10),3,14,16(20),21-pentaen-9-one

Traditional Name

12-(3,4-dimethoxyphenyl)-1-hydroxy-21-methoxy-11-phenyl-13,17,19-trioxa-3,8-diazahexacyclo[10.10.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁶,²⁰]docosa-2(10),3,14,16(20),21-pentaen-9-one

CAS Registry Number

Not Available

SMILES

COC1=CC=C(C=C1OC)C12OC3=CC4=C(OCO4)C(OC)=C3C1(O)C1=C(C2C2=CC=CC=C2)C(=O)N2CCCC2=N1

InChI Identifier

InChI=1S/C32H28N2O8/c1-37-19-12-11-18(14-20(19)38-2)32-25(17-8-5-4-6-9-17)24-29(33-23-10-7-13-34(23)30(24)35)31(32,36)26-21(42-32)15-22-27(28(26)39-3)41-16-40-22/h4-6,8-9,11-12,14-15,25,36H,7,10,13,16H2,1-3H3

InChI Key

GPVCSDKMUZPMPD-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
Aglaia elaeagnoidea	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Stilbenes

Sub Class

Not Available

Direct Parent

Stilbenes

Alternative Parents

Substituents

Stilbene
Dimethoxybenzene
O-dimethoxybenzene
Coumaran
Benzodioxole
Phenol ether
Methoxybenzene
Anisole
Phenoxy compound
Alkyl aryl ether
Pyrimidone
Pyrimidine
Benzenoid
Monocyclic benzene moiety
Heteroaromatic compound
Tertiary alcohol
Lactam
Acetal
Ether
Oxacycle
Azacycle
Organoheterocyclic compound
Hydrocarbon derivative
Alcohol
Organic oxide
Organopnictogen compound
Organonitrogen compound
Organooxygen compound
Organic nitrogen compound
Organic oxygen 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	3.04	ALOGPS
logP	2.75	ChemAxon
logS	-4.4	ALOGPS
pKa (Strongest Acidic)	11.32	ChemAxon
pKa (Strongest Basic)	-1.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	108.28 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	149.69 m³·mol⁻¹	ChemAxon
Polarizability	58.89 Å³	ChemAxon
Number of Rings	8	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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 12-(3,4-dimethoxyphenyl)-1-hydroxy-21-methoxy-11-phenyl-13,17,19-trioxa-3,8-diazahexacyclo[10.10.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁶,²⁰]docosa-2(10),3,14,16(20),21-pentaen-9-one (NP0231886)

MOL for NP0231886 (12-(3,4-dimethoxyphenyl)-1-hydroxy-21-methoxy-11-phenyl-13,17,19-trioxa-3,8-diazahexacyclo[10.10.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁶,²⁰]docosa-2(10),3,14,16(20),21-pentaen-9-one)

3D MOL for NP0231886 (12-(3,4-dimethoxyphenyl)-1-hydroxy-21-methoxy-11-phenyl-13,17,19-trioxa-3,8-diazahexacyclo[10.10.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁶,²⁰]docosa-2(10),3,14,16(20),21-pentaen-9-one)

3D SDF for NP0231886 (12-(3,4-dimethoxyphenyl)-1-hydroxy-21-methoxy-11-phenyl-13,17,19-trioxa-3,8-diazahexacyclo[10.10.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁶,²⁰]docosa-2(10),3,14,16(20),21-pentaen-9-one)

3D-SDF for NP0231886 (12-(3,4-dimethoxyphenyl)-1-hydroxy-21-methoxy-11-phenyl-13,17,19-trioxa-3,8-diazahexacyclo[10.10.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁶,²⁰]docosa-2(10),3,14,16(20),21-pentaen-9-one)

PDB for NP0231886 (12-(3,4-dimethoxyphenyl)-1-hydroxy-21-methoxy-11-phenyl-13,17,19-trioxa-3,8-diazahexacyclo[10.10.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁶,²⁰]docosa-2(10),3,14,16(20),21-pentaen-9-one)

3D PDB for NP0231886 (12-(3,4-dimethoxyphenyl)-1-hydroxy-21-methoxy-11-phenyl-13,17,19-trioxa-3,8-diazahexacyclo[10.10.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁶,²⁰]docosa-2(10),3,14,16(20),21-pentaen-9-one)

SMILES for NP0231886 (12-(3,4-dimethoxyphenyl)-1-hydroxy-21-methoxy-11-phenyl-13,17,19-trioxa-3,8-diazahexacyclo[10.10.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁶,²⁰]docosa-2(10),3,14,16(20),21-pentaen-9-one)

INCHI for NP0231886 (12-(3,4-dimethoxyphenyl)-1-hydroxy-21-methoxy-11-phenyl-13,17,19-trioxa-3,8-diazahexacyclo[10.10.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁶,²⁰]docosa-2(10),3,14,16(20),21-pentaen-9-one)

Structure for NP0231886 (12-(3,4-dimethoxyphenyl)-1-hydroxy-21-methoxy-11-phenyl-13,17,19-trioxa-3,8-diazahexacyclo[10.10.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁶,²⁰]docosa-2(10),3,14,16(20),21-pentaen-9-one)

3D Structure for NP0231886 (12-(3,4-dimethoxyphenyl)-1-hydroxy-21-methoxy-11-phenyl-13,17,19-trioxa-3,8-diazahexacyclo[10.10.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁶,²⁰]docosa-2(10),3,14,16(20),21-pentaen-9-one)