NP-MRD: Showing NP-Card for 11'-hydroxy-10'-methoxy-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,8'(12'),9'-tetraen-4-one (NP0287338)

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Record Information

Version

2.0

Created at

2022-09-09 16:21:43 UTC

Updated at

2022-09-09 16:21:43 UTC

NP-MRD ID

NP0287338

Secondary Accession Numbers

None

Natural Product Identification

Common Name

11'-hydroxy-10'-methoxy-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,8'(12'),9'-tetraen-4-one

Description

11'-Hydroxy-10'-methoxy-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]Dodecane]-1'(12'),2,8',10'-tetraen-4-one belongs to the class of organic compounds known as proaporphines. These are benzylisoquinoline derivatives characterized by the presence of a spirocyclohexane ring that can occur in various oxidation levels, from cyclohexadienone to cyclohexanol. 11'-hydroxy-10'-methoxy-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,8'(12'),9'-tetraen-4-one is found in Croton bonplandianus and Croton ruizianus. 11'-Hydroxy-10'-methoxy-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]Dodecane]-1'(12'),2,8',10'-tetraen-4-one is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 40 43  0  0  0  0  0  0  0  0999 V2000
    3.7533    3.0370    0.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3851    2.7955    0.6779 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8097    1.5727    0.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5367    0.4382    0.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9345   -0.7531   -0.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5735   -0.7757   -0.2381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2174    0.2850    0.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4162    1.4681    0.3616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3164    2.5846    0.6715 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6298   -0.1766   -0.0185 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1350    0.1476   -1.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3041    0.7245   -1.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1348    1.0560   -0.4109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3748    1.0965   -0.5157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4501    1.3364    0.8606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4651    0.2492    1.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5059   -1.7040    0.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1606   -2.0071   -0.5615 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5690   -3.0837    0.0194 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8467   -3.1917   -0.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7268   -1.9909   -0.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2772    2.1365    1.0704 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0671    3.3230   -0.3277 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370    3.9183    1.3937 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6195    0.4988    0.0463 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1451    3.4532    0.8938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5174   -0.0976   -2.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6380    0.9461   -2.5728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1866    1.3271    1.7173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0485    2.3473    0.8233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8091    0.5079    2.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0704   -0.6223    1.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4955   -2.0412    1.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2824   -2.2036   -0.5419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -2.1014   -1.6616 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6534   -2.9191    1.0489 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3492   -4.1018   -0.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6580   -3.4927   -1.6850 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2275   -1.8596   -1.5567 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4523   -2.1272    0.2589 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 18  1  0
 18 17  1  0
 17 10  1  0
 10 16  1  0
 16 15  1  0
 15 13  1  0
 13 14  2  0
 13 12  1  0
 12 11  2  0
 10  7  1  0
  7  8  2  0
  8  9  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
  8  3  1  0
 21  5  1  0
  7  6  1  0
 10 11  1  6
  1 22  1  0
  1 23  1  0
  1 24  1  0
  4 25  1  0
 18 35  1  6
 17 33  1  0
 17 34  1  0
 16 31  1  0
 16 32  1  0
 15 29  1  0
 15 30  1  0
 12 28  1  0
 11 27  1  0
  9 26  1  0
 19 36  1  0
 20 37  1  0
 20 38  1  0
 21 39  1  0
 21 40  1  0
M  END


  Mrv1533004191521512D          

 21 24  0  0  0  0            999 V2000
    2.1761   -3.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7938   -3.1326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6290   -2.3242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8465   -2.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6817   -1.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8705   -0.6956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8774    0.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5953    0.5359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3063    0.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0930    0.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5723   -0.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9908    0.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8158    0.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -0.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0473   -0.3262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8039   -1.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9789   -1.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0819   -0.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2467   -1.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -2.0388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2994   -0.7075    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  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  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
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 18 19  2  0  0  0  0
  3 19  1  0  0  0  0
 19 20  1  0  0  0  0
 18 21  1  0  0  0  0
  5 21  2  0  0  0  0
  9 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0287338

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC2=C3C(CC4(CCC(=O)C=C4)C3=C1O)NCC2

> <INCHI_IDENTIFIER>
InChI=1S/C17H19NO3/c1-21-13-8-10-4-7-18-12-9-17(5-2-11(19)3-6-17)15(14(10)12)16(13)20/h2,5,8,12,18,20H,3-4,6-7,9H2,1H3

> <INCHI_KEY>
AIXJLWHFXRWKJG-UHFFFAOYSA-N

> <FORMULA>
C17H19NO3

> <MOLECULAR_WEIGHT>
285.343

> <EXACT_MASS>
285.136493476

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
30.745703189233627

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
11'-hydroxy-10'-methoxy-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,8'(12'),9'-tetraen-4-one

> <ALOGPS_LOGP>
1.44

> <JCHEM_LOGP>
1.738141724995456

> <ALOGPS_LOGS>
-2.94

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
19.144210624572853

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.909584202524837

> <JCHEM_PKA_STRONGEST_BASIC>
8.507495676866204

> <JCHEM_POLAR_SURFACE_AREA>
58.56

> <JCHEM_REFRACTIVITY>
81.39969999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.31e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
11'-hydroxy-10'-methoxy-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,8'(12'),9'-tetraen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 19-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-15         0                                  
HETATM    1  C   UNK     0       4.062  -6.868   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       5.215  -5.847   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       4.907  -4.339   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.447  -3.850   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.139  -2.342   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.625  -1.298   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.638   0.242   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0       2.978   1.000   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       4.305   0.219   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.774   0.683   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.668  -0.570   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.449   0.757   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.989   0.744   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       9.748  -0.596   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      11.288  -0.609   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       8.967  -1.923   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.427  -1.910   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.753  -1.809   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.060  -3.318   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       7.521  -3.806   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       4.292  -1.321   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   19                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   21                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   21                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   17   18                                             
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   11                                                       
CONECT   18   11   19   21                                                  
CONECT   19   18    3   20                                                  
CONECT   20   19                                                            
CONECT   21   18    5    9                                                  
MASTER        0    0    0    0    0    0    0    0   21    0   48    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₇H₁₉NO₃

Average Mass

285.3430 Da

Monoisotopic Mass

285.13649 Da

IUPAC Name

11'-hydroxy-10'-methoxy-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,8'(12'),9'-tetraen-4-one

Traditional Name

11'-hydroxy-10'-methoxy-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,8'(12'),9'-tetraen-4-one

CAS Registry Number

Not Available

SMILES

COC1=CC2=C3C(CC4(CCC(=O)C=C4)C3=C1O)NCC2

InChI Identifier

InChI=1S/C17H19NO3/c1-21-13-8-10-4-7-18-12-9-17(5-2-11(19)3-6-17)15(14(10)12)16(13)20/h2,5,8,12,18,20H,3-4,6-7,9H2,1H3

InChI Key

AIXJLWHFXRWKJG-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
Croton bonplandianus	LOTUS Database	35616633
Croton ruizianus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as proaporphines. These are benzylisoquinoline derivatives characterized by the presence of a spirocyclohexane ring that can occur in various oxidation levels, from cyclohexadienone to cyclohexanol.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Proaporphines

Sub Class

Not Available

Direct Parent

Proaporphines

Alternative Parents

Substituents

Proaporphine
Tetrahydroisoquinoline
Indane
Anisole
Alkyl aryl ether
Cyclohexenone
Aralkylamine
Benzenoid
Ketone
Cyclic ketone
Secondary aliphatic amine
Ether
Secondary amine
Azacycle
Organoheterocyclic compound
Organonitrogen compound
Organic oxide
Organopnictogen compound
Amine
Organic nitrogen compound
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
Carbonyl group
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	1.44	ALOGPS
logP	1.74	ChemAxon
logS	-2.9	ALOGPS
pKa (Strongest Acidic)	9.91	ChemAxon
pKa (Strongest Basic)	8.51	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	58.56 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	81.4 m³·mol⁻¹	ChemAxon
Polarizability	30.75 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

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References

General References

LOTUS database [Link]

Showing NP-Card for 11'-hydroxy-10'-methoxy-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,8'(12'),9'-tetraen-4-one (NP0287338)

MOL for NP0287338 (11'-hydroxy-10'-methoxy-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,8'(12'),9'-tetraen-4-one)

3D MOL for NP0287338 (11'-hydroxy-10'-methoxy-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,8'(12'),9'-tetraen-4-one)

3D SDF for NP0287338 (11'-hydroxy-10'-methoxy-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,8'(12'),9'-tetraen-4-one)

3D-SDF for NP0287338 (11'-hydroxy-10'-methoxy-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,8'(12'),9'-tetraen-4-one)

PDB for NP0287338 (11'-hydroxy-10'-methoxy-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,8'(12'),9'-tetraen-4-one)

3D PDB for NP0287338 (11'-hydroxy-10'-methoxy-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,8'(12'),9'-tetraen-4-one)

SMILES for NP0287338 (11'-hydroxy-10'-methoxy-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,8'(12'),9'-tetraen-4-one)

INCHI for NP0287338 (11'-hydroxy-10'-methoxy-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,8'(12'),9'-tetraen-4-one)

Structure for NP0287338 (11'-hydroxy-10'-methoxy-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,8'(12'),9'-tetraen-4-one)

3D Structure for NP0287338 (11'-hydroxy-10'-methoxy-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,8'(12'),9'-tetraen-4-one)