NP-MRD: Showing NP-Card for 1-hydroxy-11-(4-hydroxyphenyl)-3-methyl-6h,7h,8h,9h-10λ⁵-pyridazino[1,2-a]indazol-10-ylium (NP0239900)

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Record Information

Version

2.0

Created at

2022-09-06 23:35:08 UTC

Updated at

2022-09-06 23:35:08 UTC

NP-MRD ID

NP0239900

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-hydroxy-11-(4-hydroxyphenyl)-3-methyl-6h,7h,8h,9h-10λ⁵-pyridazino[1,2-a]indazol-10-ylium

Description

1-Hydroxy-11-(4-hydroxyphenyl)-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium belongs to the class of organic compounds known as pyridazinoindazoles. Pyridazinoindazoles are compounds containing a pyridazinoindazole moiety, which consists of a pyridazine ring fused to an indazole. 1-hydroxy-11-(4-hydroxyphenyl)-3-methyl-6h,7h,8h,9h-10λ⁵-pyridazino[1,2-a]indazol-10-ylium is found in Nigella sativa. Based on a literature review very few articles have been published on 1-Hydroxy-11-(4-hydroxyphenyl)-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 41 44  0  0  0  0  0  0  0  0999 V2000
   -4.4593   -2.7924   -0.3279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1001   -2.2024   -0.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9552   -2.9400   -0.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7036   -2.3249   -0.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3715   -3.1759   -0.0474 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5628   -0.9599    0.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5015   -0.1071    0.2396 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9352   -0.3981    0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8274    0.3733    0.9185 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1843    0.2244    0.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7556   -0.6825   -0.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1128   -0.8324   -0.1628 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9029   -1.4451   -0.8025 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5150   -1.2970   -0.6938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0487    1.1450    0.3382 N   0  0  0  0  0  4  0  0  0  0  0  0
   -1.3583    1.0600    0.2344 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7320   -0.2239    0.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9636   -0.8364   -0.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2627    2.2040    0.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5890    3.5203    0.3335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1825    3.5221   -0.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6273    2.4063    0.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0355   -2.1011   -0.9797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458   -3.7762   -0.8276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9476   -2.8025    0.6569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0369   -4.0225   -0.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3457   -4.1599   -0.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4802    1.0878    1.6264 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8914    0.8236    1.3956 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7798   -0.3046    0.3593 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2835   -2.1762   -1.4945 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9023   -1.8949   -1.3670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8841   -0.2526   -0.0692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8686    2.1564   -0.6529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0194    2.0520    1.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1636    4.2968   -0.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5717    3.8955    1.3944 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2789    4.5027    0.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1915    3.3015   -1.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6085    2.4440   -0.0308 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7788    2.6929    1.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6 17  1  0
 17 18  2  0
 17 16  1  0
 16 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 15  1  0
 15  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 18  2  1  0
 15 16  1  0
 14  8  1  0
  7  6  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  3 26  1  0
  5 27  1  0
 18 33  1  0
 19 34  1  0
 19 35  1  0
 20 36  1  0
 20 37  1  0
 21 38  1  0
 21 39  1  0
 22 40  1  0
 22 41  1  0
  9 28  1  0
 10 29  1  0
 12 30  1  0
 13 31  1  0
 14 32  1  0
M  CHG  1  15   1
M  END


  Mrv1652309072201352D          

 22 25  0  0  0  0            999 V2000
   -2.2021    0.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6501   -0.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9050   -1.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3530   -2.0041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6079   -2.7887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5460   -1.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1215   -2.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1215   -3.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8359   -3.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8359   -4.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1215   -4.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1215   -5.6175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5930   -4.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5930   -3.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7889   -1.8326    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.5340   -1.0479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2910   -1.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8431   -0.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0860   -0.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8930   -0.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1479   -1.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5959   -2.0041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
  8 14  1  0  0  0  0
  7 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  6 17  1  0  0  0  0
 17 18  2  0  0  0  0
  2 18  1  0  0  0  0
 16 19  1  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
 15 22  1  0  0  0  0
M  CHG  1  15   1
M  END
> <DATABASE_ID>
NP0239900

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=CC(O)=C2C(=C1)N1CCCC[N+]1=C2C1=CC=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C18H18N2O2/c1-12-10-15-17(16(22)11-12)18(13-4-6-14(21)7-5-13)20-9-3-2-8-19(15)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22)/p+1

> <INCHI_KEY>
BYNDPWUDABJNCH-UHFFFAOYSA-O

> <FORMULA>
C18H19N2O2

> <MOLECULAR_WEIGHT>
295.361

> <EXACT_MASS>
295.14410428

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
33.26616982280372

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-hydroxy-11-(4-hydroxyphenyl)-3-methyl-6H,7H,8H,9H-10lambda5-pyridazino[1,2-a]indazol-10-ylium

> <JCHEM_LOGP>
0.12612580852825434

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
9.101753248457753

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.150621138020377

> <JCHEM_PKA_STRONGEST_BASIC>
-5.537146541106499

> <JCHEM_POLAR_SURFACE_AREA>
49.269999999999996

> <JCHEM_REFRACTIVITY>
108.38680000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
1-hydroxy-11-(4-hydroxyphenyl)-3-methyl-6H,7H,8H,9H-10lambda5-pyridazino[1,2-a]indazol-10-ylium

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0      -4.111   0.013   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.080  -1.132   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.556  -2.597   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.526  -3.741   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -3.001  -5.206   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -1.019  -3.421   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.227  -4.326   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.227  -5.866   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.560  -6.636   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.560  -8.176   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.227  -8.946   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       0.227 -10.486   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -1.107  -8.176   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.107  -6.636   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0       1.473  -3.421   0.000  0.00  0.00           N+1
HETATM   16  N   UNK     0       0.997  -1.956   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0      -0.543  -1.956   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.574  -0.812   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.027  -0.812   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.534  -1.132   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.009  -2.597   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.979  -3.741   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   18                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   17                                                  
CONECT    7    6    8   15                                                  
CONECT    8    7    9   14                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13    8                                                       
CONECT   15    7   16   22                                                  
CONECT   16   15   17   19                                                  
CONECT   17   16    6   18                                                  
CONECT   18   17    2                                                       
CONECT   19   16   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   15                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₈H₁₉N₂O₂

Average Mass

295.3610 Da

Monoisotopic Mass

295.14410 Da

IUPAC Name

1-hydroxy-11-(4-hydroxyphenyl)-3-methyl-6H,7H,8H,9H-10lambda5-pyridazino[1,2-a]indazol-10-ylium

Traditional Name

1-hydroxy-11-(4-hydroxyphenyl)-3-methyl-6H,7H,8H,9H-10lambda5-pyridazino[1,2-a]indazol-10-ylium

CAS Registry Number

Not Available

SMILES

CC1=CC(O)=C2C(=C1)N1CCCC[N+]1=C2C1=CC=C(O)C=C1

InChI Identifier

InChI=1S/C18H18N2O2/c1-12-10-15-17(16(22)11-12)18(13-4-6-14(21)7-5-13)20-9-3-2-8-19(15)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22)/p+1

InChI Key

BYNDPWUDABJNCH-UHFFFAOYSA-O

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
Nigella sativa	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyridazinoindazoles. Pyridazinoindazoles are compounds containing a pyridazinoindazole moiety, which consists of a pyridazine ring fused to an indazole.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrazoles

Sub Class

Indazoles

Direct Parent

Pyridazinoindazoles

Alternative Parents

Substituents

Pyridazinoindazole
Phenylpyrazole
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Benzenoid
Pyridazine
Azole
Heteroaromatic compound
Pyrazole
Azacycle
Organic nitrogen compound
Organic oxygen compound
Hydrocarbon derivative
Organopnictogen compound
Organooxygen compound
Organonitrogen compound
Organic cation
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	0.13	ChemAxon
pKa (Strongest Acidic)	8.15	ChemAxon
pKa (Strongest Basic)	-5.5	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	49.27 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	108.39 m³·mol⁻¹	ChemAxon
Polarizability	33.27 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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

58121403

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

118717506

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 1-hydroxy-11-(4-hydroxyphenyl)-3-methyl-6h,7h,8h,9h-10λ⁵-pyridazino[1,2-a]indazol-10-ylium (NP0239900)

MOL for NP0239900 (1-hydroxy-11-(4-hydroxyphenyl)-3-methyl-6h,7h,8h,9h-10λ⁵-pyridazino[1,2-a]indazol-10-ylium)

3D MOL for NP0239900 (1-hydroxy-11-(4-hydroxyphenyl)-3-methyl-6h,7h,8h,9h-10λ⁵-pyridazino[1,2-a]indazol-10-ylium)

3D SDF for NP0239900 (1-hydroxy-11-(4-hydroxyphenyl)-3-methyl-6h,7h,8h,9h-10λ⁵-pyridazino[1,2-a]indazol-10-ylium)

3D-SDF for NP0239900 (1-hydroxy-11-(4-hydroxyphenyl)-3-methyl-6h,7h,8h,9h-10λ⁵-pyridazino[1,2-a]indazol-10-ylium)

PDB for NP0239900 (1-hydroxy-11-(4-hydroxyphenyl)-3-methyl-6h,7h,8h,9h-10λ⁵-pyridazino[1,2-a]indazol-10-ylium)

3D PDB for NP0239900 (1-hydroxy-11-(4-hydroxyphenyl)-3-methyl-6h,7h,8h,9h-10λ⁵-pyridazino[1,2-a]indazol-10-ylium)

SMILES for NP0239900 (1-hydroxy-11-(4-hydroxyphenyl)-3-methyl-6h,7h,8h,9h-10λ⁵-pyridazino[1,2-a]indazol-10-ylium)

INCHI for NP0239900 (1-hydroxy-11-(4-hydroxyphenyl)-3-methyl-6h,7h,8h,9h-10λ⁵-pyridazino[1,2-a]indazol-10-ylium)

Structure for NP0239900 (1-hydroxy-11-(4-hydroxyphenyl)-3-methyl-6h,7h,8h,9h-10λ⁵-pyridazino[1,2-a]indazol-10-ylium)

3D Structure for NP0239900 (1-hydroxy-11-(4-hydroxyphenyl)-3-methyl-6h,7h,8h,9h-10λ⁵-pyridazino[1,2-a]indazol-10-ylium)