NP-MRD: Showing NP-Card for (12bs)-2,11-dimethoxy-7,8,12b,13-tetrahydro-5h-6-azatetraphene-3,12-diol (NP0283689)

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Record Information

Version

2.0

Created at

2022-09-09 11:03:08 UTC

Updated at

2022-09-09 11:03:08 UTC

NP-MRD ID

NP0283689

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(12bs)-2,11-dimethoxy-7,8,12b,13-tetrahydro-5h-6-azatetraphene-3,12-diol

Description

Caseamine belongs to the class of organic compounds known as protoberberine alkaloids and derivatives. These are alkaloids with a structure based on a protoberberine moiety, which consists of a 5,6-dihydrodibenzene moiety fused to a quinolizinium and forming 5,6-Dihydrodibenzo(a,g)quinolizinium skeleton. (12bs)-2,11-dimethoxy-7,8,12b,13-tetrahydro-5h-6-azatetraphene-3,12-diol is found in Ceratocapnos heterocarpa. (12bs)-2,11-dimethoxy-7,8,12b,13-tetrahydro-5h-6-azatetraphene-3,12-diol was first documented in 2018 (PMID: 30451502). Based on a literature review very few articles have been published on Caseamine (PMID: 33553864).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 45 48  0  0  0  0  0  0  0  0999 V2000
    5.0560    2.3570    1.6239 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2638    1.4490    0.5655 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2049    0.8650   -0.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9197    1.1849    0.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8801    0.5969   -0.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -0.2818   -1.4245 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4313   -0.6118   -1.8187 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4884   -0.0208   -1.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8024   -0.3210   -1.4990 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9464   -0.8821   -2.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0810   -1.3274   -1.1002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6731   -2.4911   -1.2843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3804   -2.8787    0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2632   -1.7101    0.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6076   -1.8410    0.5852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3370   -0.6851    0.8369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7544    0.5643    0.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5125    1.6802    1.0704 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8824    1.6706    1.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4098    0.6860    0.5388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7699    1.8928    0.5022 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6560   -0.4506    0.2836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2223   -0.4606   -0.0203 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4506    0.8665   -0.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5434    3.2621    1.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3006    1.8723    2.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9696    2.5704    2.1743 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6759    1.8686    1.0739 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5853   -1.3110   -2.6336 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5336    0.1368   -0.9719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5280   -0.0625   -2.7576 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2889   -1.7333   -2.7147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3913   -2.4493   -2.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0157   -3.3592   -1.5023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0004   -3.7567   -0.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6181   -3.0376    0.7841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0478   -2.8239    0.5979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3852   -0.7743    1.0534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2355    2.5837    1.8491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4286    1.5837    0.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1689    0.8276    2.0421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1775    2.7971    0.6641 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2537   -0.9551    0.8882 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0932    1.5486   -0.8544 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4596    1.3611    0.9180 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
  5  6  2  0
  6 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 23 24  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8  3  1  0
 24  5  1  0
 23 11  1  0
 22 14  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  4 28  1  0
 10 31  1  0
 10 32  1  0
 12 33  1  0
 12 34  1  0
 13 35  1  0
 13 36  1  0
 15 37  1  0
 16 38  1  0
 19 39  1  0
 19 40  1  0
 19 41  1  0
 21 42  1  0
 23 43  1  1
 24 44  1  0
 24 45  1  0
  7 29  1  0
  9 30  1  0
M  END


  Mrv1652309092213032D          

 24 27  0  0  1  0            999 V2000
    2.3965   -1.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2066   -2.0723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7467   -1.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5569   -1.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0970   -0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8269   -0.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0168   -0.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4767   -0.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6666   -0.5132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3670    0.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1771    0.2664    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7172    0.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5274    0.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7974   -0.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6075   -0.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8776   -0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3375   -1.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6075   -2.3841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4177   -2.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5274   -1.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9873   -2.0723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2573   -0.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4472   -0.5132    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9071   -1.1368    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
  8  9  1  0  0  0  0
  6 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
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 11  1  6  0  0  0
 23 24  1  0  0  0  0
  5 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0283689

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC2=C(CN3CCC4=CC=C(OC)C(O)=C4[C@@H]3C2)C=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C19H21NO4/c1-23-16-4-3-11-5-6-20-10-13-8-15(21)17(24-2)9-12(13)7-14(20)18(11)19(16)22/h3-4,8-9,14,21-22H,5-7,10H2,1-2H3/t14-/m0/s1

> <INCHI_KEY>
IVAIKLPWWORRPT-AWEZNQCLSA-N

> <FORMULA>
C19H21NO4

> <MOLECULAR_WEIGHT>
327.38

> <EXACT_MASS>
327.14705816

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
35.867155377563336

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(12bS)-2,11-dimethoxy-7,8,12b,13-tetrahydro-5H-6-azatetraphene-3,12-diol

> <JCHEM_LOGP>
2.8561866083333336

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.150075188484763

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.160658296022424

> <JCHEM_PKA_STRONGEST_BASIC>
6.038982692636917

> <JCHEM_POLAR_SURFACE_AREA>
62.16000000000001

> <JCHEM_REFRACTIVITY>
92.39089999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(12bS)-2,11-dimethoxy-7,8,12b,13-tetrahydro-5H-6-azatetraphene-3,12-diol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0       4.473  -3.577   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       5.986  -3.868   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       6.994  -2.704   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.506  -2.995   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.514  -1.831   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.010  -0.376   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.498  -0.085   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.490  -1.249   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       4.978  -0.958   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      10.018   0.788   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      11.531   0.497   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0      12.539   1.661   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      14.051   1.370   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      14.555  -0.085   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      16.067  -0.376   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      16.571  -1.831   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      15.563  -2.995   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      16.067  -4.450   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      17.580  -4.741   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      14.051  -2.704   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      13.043  -3.868   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      13.547  -1.249   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      12.035  -0.958   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      11.027  -2.122   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   24                                                  
CONECT    6    5    7   10                                                  
CONECT    7    6    8                                                       
CONECT    8    7    3    9                                                  
CONECT    9    8                                                            
CONECT   10    6   11                                                       
CONECT   11   10   12   23                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   22                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   20                                                  
CONECT   18   17   19                                                       
CONECT   19   18                                                            
CONECT   20   17   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   14   23                                                  
CONECT   23   22   11   24                                                  
CONECT   24   23    5                                                       
MASTER        0    0    0    0    0    0    0    0   24    0   54    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₉H₂₁NO₄

Average Mass

327.3800 Da

Monoisotopic Mass

327.14706 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=CC2=C(CN3CCC4=CC=C(OC)C(O)=C4[C@@H]3C2)C=C1O

InChI Identifier

InChI=1S/C19H21NO4/c1-23-16-4-3-11-5-6-20-10-13-8-15(21)17(24-2)9-12(13)7-14(20)18(11)19(16)22/h3-4,8-9,14,21-22H,5-7,10H2,1-2H3/t14-/m0/s1

InChI Key

IVAIKLPWWORRPT-AWEZNQCLSA-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
Ceratocapnos heterocarpa	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as protoberberine alkaloids and derivatives. These are alkaloids with a structure based on a protoberberine moiety, which consists of a 5,6-dihydrodibenzene moiety fused to a quinolizinium and forming 5,6-Dihydrodibenzo(a,g)quinolizinium skeleton.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Protoberberine alkaloids and derivatives

Sub Class

Not Available

Direct Parent

Protoberberine alkaloids and derivatives

Alternative Parents

Substituents

Protoberberine skeleton
Tetrahydroprotoberberine skeleton
Tetrahydroisoquinoline
Anisole
Phenol ether
Alkyl aryl ether
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Aralkylamine
Benzenoid
Tertiary aliphatic amine
Tertiary amine
Organoheterocyclic compound
Azacycle
Ether
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Organic nitrogen 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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00027308

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

101324786

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Jahan A, Shams S, Ali S, Samrana S, Ali A, Adhikari A, Sajid M, Ali A, Ali H: Govaniadine Ameliorates Oxidative Stress, Inflammation, and Kupffer Cell Activation in Carbon Tetrachloride-Induced Hepatotoxicity in Rats. ACS Omega. 2021 Jan 21;6(4):2462-2472. doi: 10.1021/acsomega.0c02261. eCollection 2021 Feb 2. [PubMed:33553864 ]
Horst B, Wanner MJ, Jorgensen SI, Hiemstra H, van Maarseveen JH: Total Synthesis of the Ortho-Hydroxylated Protoberberines ( S)-Govaniadine, ( S)-Caseamine, and ( S)-Clarkeanidine via a Solvent-Directed Pictet-Spengler Reaction. J Org Chem. 2018 Dec 21;83(24):15110-15117. doi: 10.1021/acs.joc.8b02378. Epub 2018 Dec 3. [PubMed:30451502 ]
LOTUS database [Link]

Showing NP-Card for (12bs)-2,11-dimethoxy-7,8,12b,13-tetrahydro-5h-6-azatetraphene-3,12-diol (NP0283689)

MOL for NP0283689 ((12bs)-2,11-dimethoxy-7,8,12b,13-tetrahydro-5h-6-azatetraphene-3,12-diol)

3D MOL for NP0283689 ((12bs)-2,11-dimethoxy-7,8,12b,13-tetrahydro-5h-6-azatetraphene-3,12-diol)

3D SDF for NP0283689 ((12bs)-2,11-dimethoxy-7,8,12b,13-tetrahydro-5h-6-azatetraphene-3,12-diol)

3D-SDF for NP0283689 ((12bs)-2,11-dimethoxy-7,8,12b,13-tetrahydro-5h-6-azatetraphene-3,12-diol)

PDB for NP0283689 ((12bs)-2,11-dimethoxy-7,8,12b,13-tetrahydro-5h-6-azatetraphene-3,12-diol)

3D PDB for NP0283689 ((12bs)-2,11-dimethoxy-7,8,12b,13-tetrahydro-5h-6-azatetraphene-3,12-diol)

SMILES for NP0283689 ((12bs)-2,11-dimethoxy-7,8,12b,13-tetrahydro-5h-6-azatetraphene-3,12-diol)

INCHI for NP0283689 ((12bs)-2,11-dimethoxy-7,8,12b,13-tetrahydro-5h-6-azatetraphene-3,12-diol)

Structure for NP0283689 ((12bs)-2,11-dimethoxy-7,8,12b,13-tetrahydro-5h-6-azatetraphene-3,12-diol)

3D Structure for NP0283689 ((12bs)-2,11-dimethoxy-7,8,12b,13-tetrahydro-5h-6-azatetraphene-3,12-diol)