NP-MRD: Showing NP-Card for (9r)-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-6-one (NP0218382)

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Record Information

Version

2.0

Created at

2022-09-05 19:02:18 UTC

Updated at

2022-09-05 19:02:18 UTC

NP-MRD ID

NP0218382

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(9r)-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-6-one

Description

CYTISINE, also known as citizine or tabex, belongs to the class of organic compounds known as cytisine and derivatives. These are lupin alkaloids with a structure based on the cytisine skeleton, which is a tetracyclic ketone containing fused pyridine and piperidine rings that form pyrido[1,2a][1,5]diazocin-8-one. (9r)-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-6-one is found in Ammothamnus lehmannii, Anagyris foetida, Anarthrophyllum desideratum, Aphis cytisorum, Baptisia alba, Baptisia australis, Baptisia perfoliata, Bolusanthus speciosus, Cuscuta palaestina, Cytisus hirsutus, Dermatophyllum secundiflorum, Dicraeopetalum stipulare, Euchresta formosana, Genista canariensis, Genista carinalis, Genista cinerascens, Genista lobelii, Gonocytisus pterocladus, Laburnum alpinum, Laburnum anagyroides, Lamprolobium grandiflorum, Leontice leontopetalum, Lupinus pusillus, Melolobium microphyllum, Osyris alba, Pericopsis angolensis, Plagiocarpus axillaris, Platycelyphium voense, Polhillia canescens, Retama monosperma, Sophora alopecuroides, Sophora macrocarpa, Sophora pachycarpa, Sophora secundiflora, Sophora tetraptera, Sophora tomentosa, Sophora velutina, Spartium junceum, Teline maderensis, Thermopsis chinensis, Thermopsis lanceolata and Thermopsis montana. (9r)-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-6-one was first documented in 2022 (PMID: 36028279). Based on a literature review a small amount of articles have been published on CYTISINE (PMID: 36015209) (PMID: 36006801) (PMID: 35981284) (PMID: 35930287).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 28 30  0  0  0  0  0  0  0  0999 V2000
    2.1136    2.4761   -1.0442 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0781    1.2500   -0.7334 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2534    0.5426   -0.8772 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2243   -0.7955   -0.5406 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0355   -1.3731   -0.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8840   -0.6313    0.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9302    0.6648   -0.2793 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2585    1.4664   -0.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2219    1.0449    0.9068 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5295    0.6625    0.1866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1150   -0.1953   -0.8957 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4300   -1.3787   -0.4944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3941   -1.2059    0.5490 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8273   -0.2135    1.6427 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667    1.0104   -1.2389 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1362   -1.3602   -0.6485 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0095   -2.4185    0.1866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7226    1.4559   -1.1835 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0425    2.5513   -0.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4264    1.8820    1.6188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9674    1.5694   -0.2527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1943    0.1676    0.9160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8401   -0.3952   -1.5815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9415   -1.8103   -1.4015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1418   -2.1827   -0.1462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2470   -2.1716    1.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6906   -0.5764    2.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0741   -0.0355    2.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6 13  1  0
 13 12  1  0
 12 11  1  0
 11 10  1  0
 10  9  1  0
  9 14  1  0
  9  8  1  0
  8  7  1  0
  7  2  1  0
  7  6  1  0
 14 13  1  0
  3 15  1  0
  4 16  1  0
  5 17  1  0
 13 26  1  1
 12 24  1  0
 12 25  1  0
 11 23  1  0
 10 21  1  0
 10 22  1  0
  9 20  1  1
 14 27  1  0
 14 28  1  0
  8 18  1  0
  8 19  1  0
M  END


  Mrv1652309052221022D          

 14 16  0  0  1  0            999 V2000
    3.3379    2.4175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2787    1.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9618    1.1319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9026    0.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1604   -0.0512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4773    0.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5365    1.2344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9965    1.8581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1736    1.9172    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5499    1.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4907    0.5543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0308   -0.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8536   -0.1285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7693    0.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  6  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
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0218382

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O=C1C=CC=C2C3CNC[C@@H](C3)CN12

> <INCHI_IDENTIFIER>
InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9?/m1/s1

> <INCHI_KEY>
ANJTVLIZGCUXLD-VEDVMXKPSA-N

> <FORMULA>
C11H14N2O

> <MOLECULAR_WEIGHT>
190.246

> <EXACT_MASS>
190.110613079

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
20.186657787782025

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(9R)-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one

> <JCHEM_LOGP>
-0.27985360699999995

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
9.823392598653696

> <JCHEM_POLAR_SURFACE_AREA>
32.34

> <JCHEM_REFRACTIVITY>
56.928300000000014

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(9R)-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  O   UNK     0       6.231   4.513   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       6.120   2.977   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.395   2.113   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.285   0.577   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.899  -0.096   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.624   0.768   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       4.735   2.304   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       3.727   3.468   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.191   3.579   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.026   2.571   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       0.916   1.035   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       1.924  -0.129   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.460  -0.240   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.303   1.828   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    7                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   13                                                  
CONECT    7    6    2    8                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   14                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12    6   14                                                  
CONECT   14   13    9                                                       
MASTER        0    0    0    0    0    0    0    0   14    0   32    0
END

View in JSmol

Synonyms

Value	Source
Citizine	MeSH
Cytisine hydrochloride	MeSH
3-Hydroxy-11-norcytisine	MeSH
Tabex	MeSH
Cytisine dihydrochloride, trihydrate	MeSH
Cytiton	MeSH
Tsitizin	MeSH
Cystisin	MeSH
Cytisine hydrochloride, hydrate	MeSH
Cytisine tetrahydrochloride, trihydrate	MeSH

Chemical Formula

C₁₁H₁₄N₂O

Average Mass

190.2460 Da

Monoisotopic Mass

190.11061 Da

IUPAC Name

(9R)-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one

Traditional Name

(9R)-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one

CAS Registry Number

Not Available

SMILES

O=C1C=CC=C2C3CNC[C@@H](C3)CN12

InChI Identifier

InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9?/m1/s1

InChI Key

ANJTVLIZGCUXLD-VEDVMXKPSA-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
Ammothamnus lehmannii	LOTUS Database	35616633
Anagyris foetida	LOTUS Database	35616633
Anarthrophyllum desideratum	LOTUS Database	35616633
Aphis cytisorum	LOTUS Database	35616633
Baptisia alba	LOTUS Database	35616633
Baptisia australis	LOTUS Database	35616633
Baptisia perfoliata	LOTUS Database	35616633
Bolusanthus speciosus	LOTUS Database	35616633
Cuscuta palaestina	LOTUS Database	35616633
Cytisus hirsutus	LOTUS Database	35616633
Dermatophyllum secundiflorum	LOTUS Database	35616633
Dicraeopetalum stipulare	LOTUS Database	35616633
Euchresta formosana	LOTUS Database	35616633
Genista canariensis	LOTUS Database	35616633
Genista carinalis	LOTUS Database	35616633
Genista cinerascens	LOTUS Database	35616633
Genista lobelii	LOTUS Database	35616633
Gonocytisus pterocladus	LOTUS Database	35616633
Laburnum alpinum	LOTUS Database	35616633
Laburnum anagyroides	LOTUS Database	35616633
Lamprolobium grandiflorum	LOTUS Database	35616633
Leontice leontopetalum	LOTUS Database	35616633
Lupinus pusillus	LOTUS Database	35616633
Melolobium microphyllum	LOTUS Database	35616633
Osyris alba	LOTUS Database	35616633
Pericopsis angolensis	LOTUS Database	35616633
Plagiocarpus axillaris	LOTUS Database	35616633
Platycelyphium voense	LOTUS Database	35616633
Polhillia canescens	LOTUS Database	35616633
Retama monosperma	LOTUS Database	35616633
Sophora alopecuroides	LOTUS Database	35616633
Sophora macrocarpa	LOTUS Database	35616633
Sophora pachycarpa	LOTUS Database	35616633
Sophora secundiflora	LOTUS Database	35616633
Sophora tetraptera	LOTUS Database	35616633
Sophora tomentosa	LOTUS Database	35616633
Sophora velutina	LOTUS Database	35616633
Spartium junceum	LOTUS Database	35616633
Teline maderensis	LOTUS Database	35616633
Thermopsis chinensis	LOTUS Database	35616633
Thermopsis lanceolata	LOTUS Database	35616633
Thermopsis montana	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cytisine and derivatives. These are lupin alkaloids with a structure based on the cytisine skeleton, which is a tetracyclic ketone containing fused pyridine and piperidine rings that form pyrido[1,2a][1,5]diazocin-8-one.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Lupin alkaloids

Sub Class

Cytisine and derivatives

Direct Parent

Cytisine and derivatives

Alternative Parents

Substituents

Cytisine
Aralkylamine
Pyridinone
Piperidine
Pyridine
Heteroaromatic compound
Lactam
Secondary aliphatic amine
Azacycle
Organoheterocyclic compound
Secondary amine
Amine
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Organonitrogen compound
Organopnictogen compound
Organic oxygen compound
Organic nitrogen 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	-0.28	ChemAxon
pKa (Strongest Basic)	9.82	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	32.34 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	56.93 m³·mol⁻¹	ChemAxon
Polarizability	20.19 Å³	ChemAxon
Number of Rings	3	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

C00002216

Chemspider ID

5140874

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6708720

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Li J, Parrott S, Keding A, Dogar O, Gabe R, Marshall AM, Huque R, Barua D, Fatima R, Khan A, Zahid R, Mansoor S, Kotz D, Boeckmann M, Elsey H, Kralikova E, Readshaw A, Sheikh A, Siddiqi K: Cost-utility of cytisine for smoking cessation over and above behavioural support in people with newly diagnosed pulmonary tuberculosis: an economic evaluation of a multicentre randomised controlled trial. BMJ Open. 2022 Aug 26;12(8):e049644. doi: 10.1136/bmjopen-2021-049644. [PubMed:36028279 ]
Angellotti G, Di Prima G, Scarpaci AG, D'Agostino F, Campisi G, De Caro V: Spray-Dried Cytisine-Loaded Matrices: Development of Transbuccal Sustained-Release Tablets as a Promising Tool in Smoking Cessation Therapy. Pharmaceutics. 2022 Jul 29;14(8):1583. doi: 10.3390/pharmaceutics14081583. [PubMed:36015209 ]
Knox HJ, Rego Campello H, Lester HA, Gallagher T, Dougherty DA: Characterization of Binding Site Interactions and Selectivity Principles in the alpha3beta4 Nicotinic Acetylcholine Receptor. J Am Chem Soc. 2022 Sep 7;144(35):16101-16117. doi: 10.1021/jacs.2c06495. Epub 2022 Aug 25. [PubMed:36006801 ]
Hu ZX, Zhang P, Zou JB, An Q, Yi P, Yuan CM, Yang J, Gu W, Huang LJ, Zhao LH, Hao XJ: Maillard Reaction Products with Anti-Tobacco Mosaic Virus Activities Generated in Processed Thermopsis lanceolata R. Br. Seed Extract. J Org Chem. 2022 Sep 2;87(17):11309-11318. doi: 10.1021/acs.joc.2c00517. Epub 2022 Aug 18. [PubMed:35981284 ]
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LOTUS database [Link]

Showing NP-Card for (9r)-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-6-one (NP0218382)

MOL for NP0218382 ((9r)-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-6-one)

3D MOL for NP0218382 ((9r)-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-6-one)

3D SDF for NP0218382 ((9r)-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-6-one)

3D-SDF for NP0218382 ((9r)-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-6-one)

PDB for NP0218382 ((9r)-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-6-one)

3D PDB for NP0218382 ((9r)-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-6-one)

SMILES for NP0218382 ((9r)-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-6-one)

INCHI for NP0218382 ((9r)-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-6-one)

Structure for NP0218382 ((9r)-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-6-one)

3D Structure for NP0218382 ((9r)-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-6-one)