NP-MRD: Showing NP-Card for 4,15-dimethoxy-10-azatetracyclo[8.6.1.0²,⁷.0¹³,¹⁷]heptadeca-2,4,6,13-tetraene (NP0201249)

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Record Information

Version

2.0

Created at

2022-09-04 20:15:18 UTC

Updated at

2022-09-04 20:15:18 UTC

NP-MRD ID

NP0201249

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4,15-dimethoxy-10-azatetracyclo[8.6.1.0²,⁷.0¹³,¹⁷]heptadeca-2,4,6,13-tetraene

Description

DTXSID00950334 belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom). 4,15-dimethoxy-10-azatetracyclo[8.6.1.0²,⁷.0¹³,¹⁷]heptadeca-2,4,6,13-tetraene is found in Cocculus laurifolius. Based on a literature review very few articles have been published on DTXSID00950334.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 44 47  0  0  0  0  0  0  0  0999 V2000
    5.4030    1.8100   -0.6904 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0352    1.9813   -0.4265 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2148    0.8853   -0.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7598   -0.3849   -0.3335 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625   -1.4947   -0.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6367   -1.2980    0.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0463   -0.0379    0.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8516    1.0601    0.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3855    0.2774    0.4649 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7749    1.6261   -0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2437    1.8305   -0.1808 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7835    2.3849    0.9839 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3479    3.6161    0.7221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0360    0.6493   -0.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5525   -0.5523   -0.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1093   -1.9358   -0.8131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2775   -2.8045    0.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3961   -1.9274    0.8520 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1734   -2.5145    1.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9085   -2.5916    0.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1792   -0.8404   -0.1119 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9075    1.2270    0.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5710    1.2675   -1.6547 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8377    2.8366   -0.8066 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8104   -0.5476   -0.5357 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3517   -2.4989   -0.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4485    2.0595    0.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4829    0.2562    1.5869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4342    2.3691    0.7361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2847    1.9258   -0.9860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4449    2.5898   -1.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1561    3.4468   -0.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6118    4.2883    0.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6872    4.1422    1.6150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0741    0.8084   -0.8500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8094   -2.1540   -1.8511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1748   -1.9946   -0.6099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9465   -3.3198    0.8656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7248   -3.5718   -0.4043 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2243   -1.8626    2.1202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3768   -3.4909    1.7705 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4971   -2.9570   -0.6988 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6586   -3.3281    0.5952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6575   -1.2310   -1.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
 13 12  1  0
 12 11  1  0
 11 10  1  0
 10  9  1  0
  9 21  1  0
 21 18  1  0
 18 17  1  0
 17 16  1  0
 16 15  1  0
 15 14  2  0
 18 19  1  0
 19 20  1  0
 20  6  1  0
  6  5  2  0
  5  4  1  0
  4  3  2  0
  3  2  1  0
  2  1  1  0
  3  8  1  0
  8  7  2  0
 14 11  1  0
  7  6  1  0
  7  9  1  0
 15 21  1  0
 13 32  1  0
 13 33  1  0
 13 34  1  0
 11 31  1  6
 10 29  1  0
 10 30  1  0
  9 28  1  1
 21 44  1  6
 17 38  1  0
 17 39  1  0
 16 36  1  0
 16 37  1  0
 14 35  1  0
 19 40  1  0
 19 41  1  0
 20 42  1  0
 20 43  1  0
  5 26  1  0
  4 25  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  8 27  1  0
M  END


  Mrv1652309042222152D          

 21 24  0  0  0  0            999 V2000
    5.4958   -0.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7102   -0.6962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0992   -0.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2738    0.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6628    1.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8772    0.9668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7026    0.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3136   -0.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9634   -0.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9627   -1.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2592   -1.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2808   -2.3302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0058   -2.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5342   -1.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5127   -0.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1146    0.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2011    1.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0236    0.9461    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5307    1.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3556    1.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2161    0.1439    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
  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
  7  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
 11 14  1  0  0  0  0
 14 15  2  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
 19 20  1  0  0  0  0
  6 20  1  0  0  0  0
 18 21  1  0  0  0  0
 15 21  1  0  0  0  0
  9 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0201249

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1CC2C3N(CCC3=C1)CCC1=CC=C(OC)C=C21

> <INCHI_IDENTIFIER>
InChI=1S/C18H23NO2/c1-20-14-4-3-12-5-7-19-8-6-13-9-15(21-2)11-17(18(13)19)16(12)10-14/h3-4,9-10,15,17-18H,5-8,11H2,1-2H3

> <INCHI_KEY>
UYXQAPQPXZLQHR-UHFFFAOYSA-N

> <FORMULA>
C18H23NO2

> <MOLECULAR_WEIGHT>
285.387

> <EXACT_MASS>
285.172878985

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
32.977987719342984

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4,15-dimethoxy-10-azatetracyclo[8.6.1.0^{2,7}.0^{13,17}]heptadeca-2,4,6,13-tetraene

> <JCHEM_LOGP>
2.346563665666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
9.802413366325297

> <JCHEM_POLAR_SURFACE_AREA>
21.700000000000003

> <JCHEM_REFRACTIVITY>
85.1214

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
4,15-dimethoxy-10-azatetracyclo[8.6.1.0^{2,7}.0^{13,17}]heptadeca-2,4,6,13-tetraene

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0      10.259  -0.829   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       8.792  -1.300   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       7.652  -0.265   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.978   1.240   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.837   2.275   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.371   1.805   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.045   0.300   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.185  -0.735   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.665  -0.384   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.664  -2.006   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.351  -2.810   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       2.391  -4.350   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       3.744  -5.085   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.997  -2.075   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.957  -0.536   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.214   0.464   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.375   1.887   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       1.911   1.766   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0       2.857   2.981   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.397   2.998   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.270   0.269   0.000  0.00  0.00           C+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   20                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7    3                                                       
CONECT    9    7   10   21                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   14                                                  
CONECT   12   11   13                                                       
CONECT   13   12                                                            
CONECT   14   11   15                                                       
CONECT   15   14   16   21                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   21                                                  
CONECT   19   18   20                                                       
CONECT   20   19    6                                                       
CONECT   21   18   15    9                                                  
MASTER        0    0    0    0    0    0    0    0   21    0   48    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₈H₂₃NO₂

Average Mass

285.3870 Da

Monoisotopic Mass

285.17288 Da

IUPAC Name

4,15-dimethoxy-10-azatetracyclo[8.6.1.0^{2,7}.0^{13,17}]heptadeca-2,4,6,13-tetraene

Traditional Name

4,15-dimethoxy-10-azatetracyclo[8.6.1.0^{2,7}.0^{13,17}]heptadeca-2,4,6,13-tetraene

CAS Registry Number

Not Available

SMILES

COC1CC2C3N(CCC3=C1)CCC1=CC=C(OC)C=C21

InChI Identifier

InChI=1S/C18H23NO2/c1-20-14-4-3-12-5-7-19-8-6-13-9-15(21-2)11-17(18(13)19)16(12)10-14/h3-4,9-10,15,17-18H,5-8,11H2,1-2H3

InChI Key

UYXQAPQPXZLQHR-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
Cocculus laurifolius	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom).

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzazepines

Sub Class

Not Available

Direct Parent

Benzazepines

Alternative Parents

Substituents

Benzazepine
Indole or derivatives
Anisole
Phenol ether
Aralkylamine
Alkyl aryl ether
Azepine
Benzenoid
N-alkylpyrrolidine
Pyrrolidine
Tertiary aliphatic amine
Tertiary amine
Ether
Dialkyl ether
Azacycle
Organonitrogen compound
Organic oxygen compound
Organic nitrogen compound
Hydrocarbon derivative
Organooxygen compound
Amine
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	2.35	ChemAxon
pKa (Strongest Basic)	9.8	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	21.7 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	85.12 m³·mol⁻¹	ChemAxon
Polarizability	32.98 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	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

4475154

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5315983

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 4,15-dimethoxy-10-azatetracyclo[8.6.1.0²,⁷.0¹³,¹⁷]heptadeca-2,4,6,13-tetraene (NP0201249)

MOL for NP0201249 (4,15-dimethoxy-10-azatetracyclo[8.6.1.0²,⁷.0¹³,¹⁷]heptadeca-2,4,6,13-tetraene)

3D MOL for NP0201249 (4,15-dimethoxy-10-azatetracyclo[8.6.1.0²,⁷.0¹³,¹⁷]heptadeca-2,4,6,13-tetraene)

3D SDF for NP0201249 (4,15-dimethoxy-10-azatetracyclo[8.6.1.0²,⁷.0¹³,¹⁷]heptadeca-2,4,6,13-tetraene)

3D-SDF for NP0201249 (4,15-dimethoxy-10-azatetracyclo[8.6.1.0²,⁷.0¹³,¹⁷]heptadeca-2,4,6,13-tetraene)

PDB for NP0201249 (4,15-dimethoxy-10-azatetracyclo[8.6.1.0²,⁷.0¹³,¹⁷]heptadeca-2,4,6,13-tetraene)

3D PDB for NP0201249 (4,15-dimethoxy-10-azatetracyclo[8.6.1.0²,⁷.0¹³,¹⁷]heptadeca-2,4,6,13-tetraene)

SMILES for NP0201249 (4,15-dimethoxy-10-azatetracyclo[8.6.1.0²,⁷.0¹³,¹⁷]heptadeca-2,4,6,13-tetraene)

INCHI for NP0201249 (4,15-dimethoxy-10-azatetracyclo[8.6.1.0²,⁷.0¹³,¹⁷]heptadeca-2,4,6,13-tetraene)

Structure for NP0201249 (4,15-dimethoxy-10-azatetracyclo[8.6.1.0²,⁷.0¹³,¹⁷]heptadeca-2,4,6,13-tetraene)

3D Structure for NP0201249 (4,15-dimethoxy-10-azatetracyclo[8.6.1.0²,⁷.0¹³,¹⁷]heptadeca-2,4,6,13-tetraene)