NP-MRD: Showing NP-Card for (1s,2r,9r)-11-(but-3-en-1-yl)-7,11-diazatricyclo[7.3.1.0²,⁷]tridecan-6-one (NP0281463)

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Record Information

Version

2.0

Created at

2022-09-09 07:49:17 UTC

Updated at

2022-09-09 07:49:17 UTC

NP-MRD ID

NP0281463

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,2r,9r)-11-(but-3-en-1-yl)-7,11-diazatricyclo[7.3.1.0²,⁷]tridecan-6-one

Description

Tetrahydrorhombifoline belongs to the class of organic compounds known as quinolizidinones. Quinolizidinones are compounds containing a quinolizidine moiety which bears a ketone group. (1s,2r,9r)-11-(but-3-en-1-yl)-7,11-diazatricyclo[7.3.1.0²,⁷]tridecan-6-one is found in Castilleja miniata, Cytisus scoparius, Genista majorica, Genista pilosa, Lupinus albus, Lupinus angustifolius, Lupinus gibertianus, Lupinus hintonii, Lupinus mutabilis, Lupinus polyphyllus, Lupinus pubescens, Lupinus truncatus, Ormosia macrocalyx and Virgilia divaricata. (1s,2r,9r)-11-(but-3-en-1-yl)-7,11-diazatricyclo[7.3.1.0²,⁷]tridecan-6-one was first documented in 1983 (PMID: 17404991). Based on a literature review a small amount of articles have been published on Tetrahydrorhombifoline (PMID: 12064721) (PMID: 11045450).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 44  0  0  0  0  0  0  0  0999 V2000
    4.5192    1.4149   -0.3867 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5877    0.5648   -0.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5474   -0.7892   -0.6909 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1887   -0.8890   -1.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1886   -0.8053   -0.3511 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2416    0.2167   -0.4246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1023    0.7413    0.9428 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2572   -0.2005    2.0452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0791   -1.5900    1.5125 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0409   -1.8926    0.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4376   -1.7033    0.9459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0763   -0.4937    0.5133 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1664   -0.6208   -0.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4748   -1.7308   -0.8703 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9340    0.5877   -0.7548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1057    1.8118   -0.8494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0451    1.9695    0.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6525    0.7830    0.9576 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5366    2.3932    0.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2407    1.1492   -1.1326 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8321    0.7700    0.7049 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3907   -0.9241   -1.3798 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6521   -1.5051    0.1496 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0495   -0.0214   -2.0533 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1595   -1.8157   -1.9573 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6923    1.0688   -1.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6402   -0.0921   -1.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2969    1.7497    1.0975 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3398   -0.1888    2.2446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2978    0.0456    2.9633 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0208   -2.2713    2.3947 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9548   -2.0009    1.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8718   -2.8760    0.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1162   -2.3188    1.6046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3543   -2.3411    0.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3910    0.3987   -1.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7958    0.6947   -0.0544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7201    1.8928   -1.8923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8128    2.6923   -0.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1719    2.4629   -0.3533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3432    2.7732    0.9153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8921    0.8897    2.0455 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5 10  1  0
 10  9  1  0
  9  8  1  0
  8  7  1  0
  7  6  1  0
  7 18  1  0
 18 17  1  0
 17 16  1  0
 16 15  1  0
 15 13  1  0
 13 14  2  0
 13 12  1  0
 12 11  1  0
  6  5  1  0
 12 18  1  0
 11  9  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  3 22  1  0
  3 23  1  0
  4 24  1  0
  4 25  1  0
 10 32  1  0
 10 33  1  0
  9 31  1  1
  8 29  1  0
  8 30  1  0
  7 28  1  1
  6 26  1  0
  6 27  1  0
 18 42  1  1
 17 40  1  0
 17 41  1  0
 16 38  1  0
 16 39  1  0
 15 36  1  0
 15 37  1  0
 11 34  1  0
 11 35  1  0
M  END


  Mrv1652309092209492D          

 18 20  0  0  1  0            999 V2000
    7.3634    2.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1867    1.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4005    1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2238    0.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4376    0.5941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9058    1.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0838    1.2947    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6672    0.3491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7370   -0.7598    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3677   -0.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9149   -0.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3831   -0.0591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6362   -0.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5663   -1.2316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9593    0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0293    0.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7761    1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4531    0.7629    0.0000 C   0  0  2  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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  9  8  1  1  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  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
  7 18  1  0  0  0  0
 18 12  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0281463

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C=CCCN1C[C@H]2C[C@@H](C1)[C@H]1CCCC(=O)N1C2

> <INCHI_IDENTIFIER>
InChI=1S/C15H24N2O/c1-2-3-7-16-9-12-8-13(11-16)14-5-4-6-15(18)17(14)10-12/h2,12-14H,1,3-11H2/t12-,13+,14-/m1/s1

> <INCHI_KEY>
OKTIETCHYDTVGN-HZSPNIEDSA-N

> <FORMULA>
C15H24N2O

> <MOLECULAR_WEIGHT>
248.37

> <EXACT_MASS>
248.188863401

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
28.45373236189031

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,2R,9R)-11-(but-3-en-1-yl)-7,11-diazatricyclo[7.3.1.0^{2,7}]tridecan-6-one

> <JCHEM_LOGP>
1.1857051386666662

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
9.858862229130743

> <JCHEM_POLAR_SURFACE_AREA>
23.55

> <JCHEM_REFRACTIVITY>
73.554

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2R,9R)-11-(but-3-en-1-yl)-7,11-diazatricyclo[7.3.1.0^{2,7}]tridecan-6-one

> <JCHEM_VEBER_RULE>
1

$$$$

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      13.745   5.051   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      13.415   3.546   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      11.948   3.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.618   1.576   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0      10.150   1.109   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0       9.158   2.286   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.623   2.417   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.712   0.652   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.842  -1.418   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.020  -0.426   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       7.308  -1.288   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0       6.315  -0.110   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       4.921  -0.764   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       4.790  -2.299   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       3.657   0.116   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.788   1.650   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.182   2.304   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.446   1.424   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   10                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   18                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9    5                                                       
CONECT   11    9   12                                                       
CONECT   12   11   13   18                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17    7   12                                                  
MASTER        0    0    0    0    0    0    0    0   18    0   40    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₅H₂₄N₂O

Average Mass

248.3700 Da

Monoisotopic Mass

248.18886 Da

IUPAC Name

(1S,2R,9R)-11-(but-3-en-1-yl)-7,11-diazatricyclo[7.3.1.0^{2,7}]tridecan-6-one

Traditional Name

(1S,2R,9R)-11-(but-3-en-1-yl)-7,11-diazatricyclo[7.3.1.0^{2,7}]tridecan-6-one

CAS Registry Number

Not Available

SMILES

C=CCCN1C[C@H]2C[C@@H](C1)[C@H]1CCCC(=O)N1C2

InChI Identifier

InChI=1S/C15H24N2O/c1-2-3-7-16-9-12-8-13(11-16)14-5-4-6-15(18)17(14)10-12/h2,12-14H,1,3-11H2/t12-,13+,14-/m1/s1

InChI Key

OKTIETCHYDTVGN-HZSPNIEDSA-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
Castilleja miniata	LOTUS Database	35616633
Cytisus scoparius	LOTUS Database	35616633
Genista majorica	LOTUS Database	35616633
Genista pilosa	LOTUS Database	35616633
Lupinus albus	LOTUS Database	35616633
Lupinus angustifolius	LOTUS Database	35616633
Lupinus gibertianus	LOTUS Database	35616633
Lupinus hintonii	LOTUS Database	35616633
Lupinus mutabilis	LOTUS Database	35616633
Lupinus polyphyllus	LOTUS Database	35616633
Lupinus pubescens	LOTUS Database	35616633
Lupinus truncatus	LOTUS Database	35616633
Ormosia macrocalyx	LOTUS Database	35616633
Virgilia divaricata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as quinolizidinones. Quinolizidinones are compounds containing a quinolizidine moiety which bears a ketone group.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Quinolizidines

Sub Class

Quinolizidinones

Direct Parent

Quinolizidinones

Alternative Parents

Substituents

Quinolizidinone
Delta-lactam
Piperidinone
Piperidine
Tertiary carboxylic acid amide
Amino acid or derivatives
Carboxamide group
Lactam
Tertiary amine
Tertiary aliphatic amine
Carboxylic acid derivative
Azacycle
Organic oxygen compound
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Organic oxide
Hydrocarbon derivative
Carbonyl group
Amine
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	1.19	ChemAxon
pKa (Strongest Basic)	9.86	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	23.55 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	73.55 m³·mol⁻¹	ChemAxon
Polarizability	28.45 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

C00007730

Chemspider ID

10255152

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

15511175

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Torres KB, Quintos NR, Necha LL, Wink M: Alkaloid profile of leaves and seeds of Lupinus hintonii C. P. Smith. Z Naturforsch C J Biosci. 2002 Mar-Apr;57(3-4):243-7. doi: 10.1515/znc-2002-3-408. [PubMed:12064721 ]
Hirai MY, Suzuki H, Yamazaki M, Saito K: Biochemical and partial molecular characterization of bitter and sweet forms of Lupinus angustifolius, an experimental model for study of molecular regulation of quinolizidine alkaloid biosynthesis. Chem Pharm Bull (Tokyo). 2000 Oct;48(10):1458-61. doi: 10.1248/cpb.48.1458. [PubMed:11045450 ]
Wink M, Witte L, Hartmann T, Theuring C, Volz V: Accumulation of quinolizidine alkaloids in plants and cell suspension cultures: genera lupinus, cytisus, baptisia, genista, laburnum, and sophora. Planta Med. 1983 Aug;48(8):253-7. doi: 10.1055/s-2007-969928. [PubMed:17404991 ]
LOTUS database [Link]

Showing NP-Card for (1s,2r,9r)-11-(but-3-en-1-yl)-7,11-diazatricyclo[7.3.1.0²,⁷]tridecan-6-one (NP0281463)

MOL for NP0281463 ((1s,2r,9r)-11-(but-3-en-1-yl)-7,11-diazatricyclo[7.3.1.0²,⁷]tridecan-6-one)

3D MOL for NP0281463 ((1s,2r,9r)-11-(but-3-en-1-yl)-7,11-diazatricyclo[7.3.1.0²,⁷]tridecan-6-one)

3D SDF for NP0281463 ((1s,2r,9r)-11-(but-3-en-1-yl)-7,11-diazatricyclo[7.3.1.0²,⁷]tridecan-6-one)

3D-SDF for NP0281463 ((1s,2r,9r)-11-(but-3-en-1-yl)-7,11-diazatricyclo[7.3.1.0²,⁷]tridecan-6-one)

PDB for NP0281463 ((1s,2r,9r)-11-(but-3-en-1-yl)-7,11-diazatricyclo[7.3.1.0²,⁷]tridecan-6-one)

3D PDB for NP0281463 ((1s,2r,9r)-11-(but-3-en-1-yl)-7,11-diazatricyclo[7.3.1.0²,⁷]tridecan-6-one)

SMILES for NP0281463 ((1s,2r,9r)-11-(but-3-en-1-yl)-7,11-diazatricyclo[7.3.1.0²,⁷]tridecan-6-one)

INCHI for NP0281463 ((1s,2r,9r)-11-(but-3-en-1-yl)-7,11-diazatricyclo[7.3.1.0²,⁷]tridecan-6-one)

Structure for NP0281463 ((1s,2r,9r)-11-(but-3-en-1-yl)-7,11-diazatricyclo[7.3.1.0²,⁷]tridecan-6-one)

3D Structure for NP0281463 ((1s,2r,9r)-11-(but-3-en-1-yl)-7,11-diazatricyclo[7.3.1.0²,⁷]tridecan-6-one)