NP-MRD: Showing NP-Card for 6-Oxocamphor (NP0045575)

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Record Information

Version

2.0

Created at

2022-03-17 19:32:07 UTC

Updated at

2022-03-17 19:32:07 UTC

NP-MRD ID

NP0045575

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6-Oxocamphor

Description

Not Available

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 02241220522D          

 32 35  0  0  1  0            999 V2000
    3.6643   -1.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8473   -1.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5382   -1.0946    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9862   -0.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2411    0.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0481    0.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6002   -0.1385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3452   -0.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8972   -1.5362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6891    0.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9441    1.7008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8821    0.7447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2147    1.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4527    0.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1978   -0.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6272   -0.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -0.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7498   -0.6531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5568   -0.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1088   -1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9158   -0.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1707   -0.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6187    0.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8117    0.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2597    0.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8737    1.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6806    1.4308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2327    0.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9356    2.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9777    0.0330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8386   -1.5318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1365    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  2  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
  3  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 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
 12 16  1  0  0  0  0
 16 17  2  0  0  0  0
  4 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  2  0  0  0  0
 14 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 22 30  1  0  0  0  0
  3 31  1  1  0  0  0
M  END


  Mrv0541 02241220522D          

 32 35  0  0  1  0            999 V2000
    3.6643   -1.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8473   -1.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5382   -1.0946    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9862   -0.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2411    0.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0481    0.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6002   -0.1385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3452   -0.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8972   -1.5362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6891    0.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9441    1.7008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8821    0.7447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2147    1.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4527    0.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1978   -0.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6272   -0.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -0.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7498   -0.6531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5568   -0.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1088   -1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9158   -0.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1707   -0.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6187    0.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8117    0.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2597    0.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8737    1.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6806    1.4308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2327    0.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9356    2.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9777    0.0330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8386   -1.5318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1365    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  2  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
  3  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 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
 12 16  1  0  0  0  0
 16 17  2  0  0  0  0
  4 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  2  0  0  0  0
 14 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 22 30  1  0  0  0  0
  3 31  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0045575

> <DATABASE_NAME>
NP-MRD

> <SMILES>
Cl.CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC(O)=C(CN(C)C)C1=C3)C2=O

> <INCHI_IDENTIFIER>
InChI=1S/C23H23N3O5.ClH/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20;/h5-8,27,30H,4,9-11H2,1-3H3;1H/t23-;/m0./s1

> <INCHI_KEY>
DGHHQBMTXTWTJV-BQAIUKQQSA-N

> <FORMULA>
C23H24ClN3O5

> <MOLECULAR_WEIGHT>
457.907

> <EXACT_MASS>
457.1404486

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
44.85415176716634

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione hydrochloride

> <JCHEM_LOGP>
-0.35709507722102324

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
11.71625075471723

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.003999445526812

> <JCHEM_PKA_STRONGEST_BASIC>
9.826297371129254

> <JCHEM_POLAR_SURFACE_AREA>
103.20000000000002

> <JCHEM_REFRACTIVITY>
115.0161

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
topotecan hydrochloride

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       6.840  -3.686   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.315  -3.471   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.738  -2.043   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.708  -0.899   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.183   0.566   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.690   0.886   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       6.720  -0.259   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       6.244  -1.723   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       7.275  -2.868   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       3.153   1.710   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       3.629   3.175   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0       1.647   1.390   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       0.401   2.295   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.845   1.390   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.369  -0.075   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.171  -0.075   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.201  -1.219   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0      -1.400  -1.219   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      -2.906  -0.899   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -3.936  -2.043   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -5.443  -1.723   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -5.919  -0.259   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -4.888   0.886   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -3.382   0.566   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -2.351   1.710   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -5.364   2.351   0.000  0.00  0.00           C+0
HETATM   27  N   UNK     0      -6.870   2.671   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0      -7.901   1.526   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -7.346   4.135   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -7.425   0.062   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       3.432  -2.859   0.000  0.00  0.00           O+0
HETATM   32 Cl   UNK     0      11.455   0.000   0.000  0.00  0.00          Cl+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8   31                                             
CONECT    4    3    5   17                                                  
CONECT    5    4    6   10                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    3    9                                                  
CONECT    9    8                                                            
CONECT   10    5   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   16                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   25                                                  
CONECT   15   14   16   18                                                  
CONECT   16   15   12   17                                                  
CONECT   17   16    4                                                       
CONECT   18   15   19                                                       
CONECT   19   18   20   24                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   30                                                  
CONECT   23   22   24   26                                                  
CONECT   24   23   19   25                                                  
CONECT   25   24   14                                                       
CONECT   26   23   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   22                                                            
CONECT   31    3                                                            
MASTER        0    0    0    0    0    0    0    0   32    0   70    0
END

View in JSmol

Synonyms

Value	Source
Nogitecan hydrochloride	Kegg
Hycamtin	Kegg
Potactasol	Kegg
SK And F 104864 a	MeSH
SK And F-104864-a	MeSH
9 Dimethylaminomethyl 10 hydroxycamptothecin	MeSH
9-Dimethylaminomethyl-10-hydroxycamptothecin	MeSH
Hycamtamine	MeSH
SK And F104864a	MeSH
Topotecan	MeSH
Hydrochloride, topotecan	MeSH
Topotecan monohydrochloride, (S)-isomer	MeSH
Hydrochloride, nogitecan	MeSH
Topotecan hydrochloride	KEGG

Chemical Formula

C₂₃H₂₄ClN₃O₅

Average Mass

457.9070 Da

Monoisotopic Mass

457.14045 Da

IUPAC Name

(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione hydrochloride

Traditional Name

topotecan hydrochloride

CAS Registry Number

1935-17-7

SMILES

Cl.CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC(O)=C(CN(C)C)C1=C3)C2=O

InChI Identifier

InChI=1S/C23H23N3O5.ClH/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20;/h5-8,27,30H,4,9-11H2,1-3H3;1H/t23-;/m0./s1

InChI Key

DGHHQBMTXTWTJV-BQAIUKQQSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Salvia officinalis	FooDB	KNAPSACK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as camptothecins. These are heterocyclic compounds comprising a planar pentacyclic ring structure, that includes a pyrrolo[3,4-beta]-quinoline moiety (rings A, B and C), conjugated pyridone moiety (ring D) and one chiral center at position 20 within the alpha-hydroxy lactone ring with (S) configuration (the E-ring).

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Camptothecins

Sub Class

Not Available

Direct Parent

Camptothecins

Alternative Parents

Substituents

Camptothecin
Hydroxyquinoline
Pyranopyridine
Quinoline
1-hydroxy-2-unsubstituted benzenoid
Pyridinone
Aralkylamine
Pyridine
Benzenoid
Heteroaromatic compound
Tertiary alcohol
Amino acid or derivatives
Carboxylic acid ester
Lactam
Lactone
Tertiary amine
Tertiary aliphatic amine
Oxacycle
Organoheterocyclic compound
Azacycle
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organonitrogen compound
Organic oxygen compound
Organic oxide
Organopnictogen compound
Organooxygen compound
Amine
Alcohol
Organic nitrogen compound
Carbonyl group
Hydrochloride
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	-0.36	ChemAxon
pKa (Strongest Acidic)	8	ChemAxon
pKa (Strongest Basic)	9.83	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	103.2 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	115.02 m³·mol⁻¹	ChemAxon
Polarizability	44.85 Å³	ChemAxon
Number of Rings	5	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

DBSALT000322

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB001461

KNApSAcK ID

Not Available

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

60699

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for 6-Oxocamphor (NP0045575)

MOL for NP0045575 (6-Oxocamphor)

3D MOL for NP0045575 (6-Oxocamphor)

3D SDF for NP0045575 (6-Oxocamphor)

3D-SDF for NP0045575 (6-Oxocamphor)

PDB for NP0045575 (6-Oxocamphor)

3D PDB for NP0045575 (6-Oxocamphor)

SMILES for NP0045575 (6-Oxocamphor)

INCHI for NP0045575 (6-Oxocamphor)

Structure for NP0045575 (6-Oxocamphor)

3D Structure for NP0045575 (6-Oxocamphor)