NP-MRD: Showing NP-Card for 13,15-dimethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-3,11,14-triol (NP0159161)

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Record Information

Version

2.0

Created at

2022-09-02 16:52:18 UTC

Updated at

2022-09-02 16:52:18 UTC

NP-MRD ID

NP0159161

Secondary Accession Numbers

None

Natural Product Identification

Common Name

13,15-dimethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-3,11,14-triol

Description

13,15-Dimethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]Hexadeca-1,3,5,7,9(16),10,12,14-octaene-3,11,14-triol belongs to the class of organic compounds known as phenanthrols. Phenanthrols are compounds containing a phenanthrene (or its hydrogenated derivative) to which a hydroxyl group is attached. 13,15-dimethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-3,11,14-triol is found in Dasymaschalon dasymaschalum. Based on a literature review very few articles have been published on 13,15-dimethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]Hexadeca-1,3,5,7,9(16),10,12,14-octaene-3,11,14-triol.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 36 39  0  0  0  0  0  0  0  0999 V2000
    4.6104    0.3024    0.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6532   -0.0132   -0.8199 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2927   -0.0664   -0.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5381    1.0656   -0.7645 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1309    2.2428   -1.1648 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1386    1.0492   -0.5395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5057    2.2388   -0.6906 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3609    3.1720    0.4913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4254   -0.1147   -0.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3954   -1.2531   -0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0328   -2.4668    0.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3695   -2.6335    0.6224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2152   -1.5462    0.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5713   -1.7581    0.5656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4637   -0.7464    0.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0116    0.4843   -0.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6355    0.7295   -0.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3613    1.9815   -0.6776 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7845   -0.2865    0.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1341   -3.2969    0.4475 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1939   -2.6168    0.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5122   -3.0418    0.0207 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7463   -1.2618   -0.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5407   -0.2800   -0.0254 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2867    0.0437    1.1839 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9110    1.3689    0.1305 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6392    3.0864   -1.3444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8515    2.6661    1.3390 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6983    3.2080    0.7090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8854    4.0937    0.2698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7372   -3.5965    0.9392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9035   -2.7518    0.8874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5233   -0.9271    0.4055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7531    1.2406   -0.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0033    2.7037   -0.8856 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9730   -3.0195   -0.9008 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  6  9  2  0
  9 10  1  0
 10 23  2  0
 23 21  1  0
 21 22  1  0
 21 20  2  0
 20 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 23  3  1  0
 19 13  1  0
 19  9  1  0
 11 10  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  5 27  1  0
  8 28  1  0
  8 29  1  0
  8 30  1  0
 22 36  1  0
 12 31  1  0
 14 32  1  0
 15 33  1  0
 16 34  1  0
 18 35  1  0
M  END


  Mrv1652309022218522D          

 23 26  0  0  0  0            999 V2000
   -1.2183    1.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6053    2.1418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1794    1.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7925    2.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6209    3.2459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5771    2.1840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1902    2.7360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0186    3.5430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7486    1.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509   -0.2549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1340    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9590    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509    1.0799    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
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  2  0  0  0  0
  9 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  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 13 19  1  0  0  0  0
  9 19  1  0  0  0  0
 11 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
  3 23  1  0  0  0  0
 10 23  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0159161

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(O)C(OC)=C2C3=C1C(O)=NC3=CC1=CC=CC(O)=C21

> <INCHI_IDENTIFIER>
InChI=1S/C17H13NO5/c1-22-15-12-10-7(4-3-5-9(10)19)6-8-11(12)13(17(21)18-8)16(23-2)14(15)20/h3-6,19-20H,1-2H3,(H,18,21)

> <INCHI_KEY>
IPFOZHWHKQOOFN-UHFFFAOYSA-N

> <FORMULA>
C17H13NO5

> <MOLECULAR_WEIGHT>
311.293

> <EXACT_MASS>
311.079372523

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
31.128856891330436

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
13,15-dimethoxy-10-azatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(15),2,4,6,8,10,12(16),13-octaene-3,11,14-triol

> <ALOGPS_LOGP>
2.17

> <JCHEM_LOGP>
2.8758218146666668

> <ALOGPS_LOGS>
-3.39

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.613816892089597

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.256801146751363

> <JCHEM_PKA_STRONGEST_BASIC>
-0.6934277212099696

> <JCHEM_POLAR_SURFACE_AREA>
91.51

> <JCHEM_REFRACTIVITY>
86.07719999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.26e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
13,15-dimethoxy-10-azatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(15),2,4,6,8,10,12(16),13-octaene-3,11,14-triol

> <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      -2.274   2.968   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -1.130   3.998   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       0.335   3.522   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.479   4.553   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       1.159   6.059   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       2.944   4.077   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       4.088   5.107   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       3.768   6.614   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.264   2.570   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.120   1.540   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.120   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.453  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.787   0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.121  -0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.454   0.000   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.454   1.540   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.121   2.310   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       6.121   3.850   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       4.787   1.540   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0       0.655  -0.476   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0      -0.250   0.770   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -1.790   0.770   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       0.655   2.016   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   23                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    9                                                  
CONECT    7    6    8                                                       
CONECT    8    7                                                            
CONECT    9    6   10   19                                                  
CONECT   10    9   11   23                                                  
CONECT   11   10   12   20                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   19                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   13    9                                                  
CONECT   20   11   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21    3   10                                                  
MASTER        0    0    0    0    0    0    0    0   23    0   52    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₇H₁₃NO₅

Average Mass

311.2930 Da

Monoisotopic Mass

311.07937 Da

IUPAC Name

13,15-dimethoxy-10-azatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(15),2,4,6,8,10,12(16),13-octaene-3,11,14-triol

Traditional Name

13,15-dimethoxy-10-azatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(15),2,4,6,8,10,12(16),13-octaene-3,11,14-triol

CAS Registry Number

Not Available

SMILES

COC1=C(O)C(OC)=C2C3=C1C(O)=NC3=CC1=CC=CC(O)=C21

InChI Identifier

InChI=1S/C17H13NO5/c1-22-15-12-10-7(4-3-5-9(10)19)6-8-11(12)13(17(21)18-8)16(23-2)14(15)20/h3-6,19-20H,1-2H3,(H,18,21)

InChI Key

IPFOZHWHKQOOFN-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
Dasymaschalon dasymaschalum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenanthrols. Phenanthrols are compounds containing a phenanthrene (or its hydrogenated derivative) to which a hydroxyl group is attached.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Phenanthrenes and derivatives

Sub Class

Phenanthrols

Direct Parent

Phenanthrols

Alternative Parents

Substituents

Phenanthrol
2-naphthol
1-naphthol
Naphthalene
Indole or derivatives
Isoindole or derivatives
Anisole
Alkyl aryl ether
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Cyclic carboximidic acid
Ether
Azacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Polyol
Organic oxygen compound
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Organopnictogen compound
Hydrocarbon derivative
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	2.17	ALOGPS
logP	2.88	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	4.26	ChemAxon
pKa (Strongest Basic)	-0.69	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	91.51 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	86.08 m³·mol⁻¹	ChemAxon
Polarizability	31.13 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

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DrugBank ID

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Phenol Explorer Compound ID

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FoodDB ID

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KNApSAcK ID

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Chemspider ID

28289071

KEGG Compound ID

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BioCyc ID

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BiGG ID

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Wikipedia Link

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METLIN ID

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PubChem Compound

163076198

PDB ID

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ChEBI ID

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Good Scents ID

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References

General References

LOTUS database [Link]

Showing NP-Card for 13,15-dimethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-3,11,14-triol (NP0159161)

MOL for NP0159161 (13,15-dimethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-3,11,14-triol)

3D MOL for NP0159161 (13,15-dimethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-3,11,14-triol)

3D SDF for NP0159161 (13,15-dimethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-3,11,14-triol)

3D-SDF for NP0159161 (13,15-dimethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-3,11,14-triol)

PDB for NP0159161 (13,15-dimethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-3,11,14-triol)

3D PDB for NP0159161 (13,15-dimethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-3,11,14-triol)

SMILES for NP0159161 (13,15-dimethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-3,11,14-triol)

INCHI for NP0159161 (13,15-dimethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-3,11,14-triol)

Structure for NP0159161 (13,15-dimethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-3,11,14-triol)

3D Structure for NP0159161 (13,15-dimethoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-3,11,14-triol)