NP-MRD: Showing NP-Card for 16-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacos-18-ene-3,20-dione (NP0309737)

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Record Information

Version

2.0

Created at

2022-09-11 04:32:41 UTC

Updated at

2022-09-11 04:32:42 UTC

NP-MRD ID

NP0309737

Secondary Accession Numbers

None

Natural Product Identification

Common Name

16-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacos-18-ene-3,20-dione

Description

AC1MVEXA belongs to the class of organic compounds known as cerveratrum-type alkaloids. These are steroidal alkaloids containing the cevane (23-methyl-4- azahexacyclo[12.11.0.0^{2,11}.0^{4,9}.0^{15,24}.0^{18,23}]Pentacosane) moiety, which is a six ring system. Cerveratrum alkaloids have 7-9 oxygen atoms and occur as free alkamines or esters of simple aliphatic or aromatic acids. 16-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacos-18-ene-3,20-dione is found in Veratrum album. AC1MVEXA is a moderately basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004251511032D          

 31 36  0  0  0  0            999 V2000
    5.5937   -1.8779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9765   -1.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5350   -0.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9178    0.2807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7421    0.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1250    1.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6835    1.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9493    1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3321    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1564    1.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5979    1.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2151    0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7918   -0.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5311    0.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4112    1.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0582    1.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9384    2.3368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8250    1.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9448    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7117    0.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8315   -0.7206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5983   -1.0249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1845   -1.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4177   -0.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2979   -0.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6509   -0.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3908    0.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0079   -0.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4494   -1.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1836   -0.3824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8008   -1.1132    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  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
  6  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
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 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 19 25  1  0  0  0  0
 25 26  1  0  0  0  0
 12 27  1  0  0  0  0
  8 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
  5 30  1  0  0  0  0
 30 31  1  0  0  0  0
  2 31  1  0  0  0  0
M  END

     RDKit          3D

 70 75  0  0  0  0  0  0  0  0999 V2000
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   -5.6319    2.2143    0.7106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7281    2.8104    0.8710 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5661    0.4400    0.7086 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.6965    1.5186    1.9166 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9433    2.7906    0.7026 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0412    0.2164   -2.4899 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1804   -2.0377   -1.9033 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1533004251511032D          

 31 36  0  0  0  0            999 V2000
    5.5937   -1.8779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9765   -1.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5350   -0.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9178    0.2807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1250    1.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1564    1.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5979    1.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2151    0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7918   -0.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4112    1.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0582    1.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9384    2.3368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8250    1.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9448    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4177   -0.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2979   -0.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8008   -1.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 28 30  1  0  0  0  0
  5 30  1  0  0  0  0
 30 31  1  0  0  0  0
  2 31  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0309737

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1CCC2C(C)C3CCC4C(CC5C4C(O)CC4=CC(=O)CCC54C)C3C(=O)N2C1

> <INCHI_IDENTIFIER>
InChI=1S/C27H39NO3/c1-14-4-7-22-15(2)18-5-6-19-20(24(18)26(31)28(22)13-14)12-21-25(19)23(30)11-16-10-17(29)8-9-27(16,21)3/h10,14-15,18-25,30H,4-9,11-13H2,1-3H3

> <INCHI_KEY>
JRKNTCDSHHKHTC-UHFFFAOYSA-N

> <FORMULA>
C27H39NO3

> <MOLECULAR_WEIGHT>
425.613

> <EXACT_MASS>
425.29299412

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
70

> <JCHEM_AVERAGE_POLARIZABILITY>
50.51694942325004

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
16-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacos-18-ene-3,20-dione

> <ALOGPS_LOGP>
2.99

> <JCHEM_LOGP>
3.3041415463333346

> <ALOGPS_LOGS>
-4.07

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
19.794516350282812

> <JCHEM_PKA_STRONGEST_ACIDIC>
17.1439965245356

> <JCHEM_PKA_STRONGEST_BASIC>
1.583735272405381

> <JCHEM_POLAR_SURFACE_AREA>
57.61

> <JCHEM_REFRACTIVITY>
121.45959999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.65e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
16-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacos-18-ene-3,20-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 25-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-APR-15         0                                  
HETATM    1  C   UNK     0      10.442  -3.505   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      11.156  -2.141   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.332  -0.840   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.047   0.524   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      12.585   0.587   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      13.300   1.951   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      12.476   3.252   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      14.839   2.014   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      15.553   3.379   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      17.092   3.442   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      17.916   2.141   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      17.201   0.777   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      18.278  -0.324   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      19.658   0.359   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      19.434   1.883   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      20.642   2.838   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      20.418   4.362   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      22.073   2.270   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      22.297   0.747   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      23.728   0.179   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      23.952  -1.345   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      25.384  -1.913   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      22.744  -2.301   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      21.313  -1.733   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      21.089  -0.209   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      19.882  -1.164   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      15.663   0.714   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      14.948  -0.651   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      15.772  -1.952   0.000  0.00  0.00           O+0
HETATM   30  N   UNK     0      13.409  -0.714   0.000  0.00  0.00           N+0
HETATM   31  C   UNK     0      12.695  -2.078   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   31                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   30                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   27                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   15                                                  
CONECT   12   11   13   27                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   25                                                  
CONECT   15   14   11   16                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20   25                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   14   19   26                                             
CONECT   26   25                                                            
CONECT   27   12    8   28                                                  
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28    5   31                                                  
CONECT   31   30    2                                                       
MASTER        0    0    0    0    0    0    0    0   31    0   72    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₃₉NO₃

Average Mass

425.6130 Da

Monoisotopic Mass

425.29299 Da

IUPAC Name

16-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacos-18-ene-3,20-dione

Traditional Name

16-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacos-18-ene-3,20-dione

CAS Registry Number

Not Available

SMILES

CC1CCC2C(C)C3CCC4C(CC5C4C(O)CC4=CC(=O)CCC54C)C3C(=O)N2C1

InChI Identifier

InChI=1S/C27H39NO3/c1-14-4-7-22-15(2)18-5-6-19-20(24(18)26(31)28(22)13-14)12-21-25(19)23(30)11-16-10-17(29)8-9-27(16,21)3/h10,14-15,18-25,30H,4-9,11-13H2,1-3H3

InChI Key

JRKNTCDSHHKHTC-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
Veratrum album	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cerveratrum-type alkaloids. These are steroidal alkaloids containing the cevane (23-methyl-4- azahexacyclo[12.11.0.0^{2,11}.0^{4,9}.0^{15,24}.0^{18,23}]Pentacosane) moiety, which is a six ring system. Cerveratrum alkaloids have 7-9 oxygen atoms and occur as free alkamines or esters of simple aliphatic or aromatic acids.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Steroidal alkaloids

Direct Parent

Cerveratrum-type alkaloids

Alternative Parents

Substituents

Cerveratrum-type alkaloid
Azasteroid
Isoquinolone
Quinolizidinone
Quinolizidine
Alkaloid or derivatives
Delta-lactam
Piperidinone
Cyclohexenone
Piperidine
Tertiary carboxylic acid amide
Cyclic alcohol
Cyclic ketone
Secondary alcohol
Carboxamide group
Ketone
Lactam
Azacycle
Organoheterocyclic compound
Carboxylic acid derivative
Organopnictogen compound
Alcohol
Organic oxide
Organic oxygen compound
Hydrocarbon derivative
Organic nitrogen compound
Carbonyl group
Organooxygen compound
Organonitrogen compound
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	2.99	ALOGPS
logP	3.3	ChemAxon
logS	-4.1	ALOGPS
pKa (Strongest Acidic)	17.14	ChemAxon
pKa (Strongest Basic)	1.58	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	57.61 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	121.46 m³·mol⁻¹	ChemAxon
Polarizability	50.52 Å³	ChemAxon
Number of Rings	6	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

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

3706754

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 16-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacos-18-ene-3,20-dione (NP0309737)

MOL for NP0309737 (16-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacos-18-ene-3,20-dione)

3D MOL for NP0309737 (16-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacos-18-ene-3,20-dione)

3D SDF for NP0309737 (16-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacos-18-ene-3,20-dione)

3D-SDF for NP0309737 (16-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacos-18-ene-3,20-dione)

PDB for NP0309737 (16-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacos-18-ene-3,20-dione)

3D PDB for NP0309737 (16-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacos-18-ene-3,20-dione)

SMILES for NP0309737 (16-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacos-18-ene-3,20-dione)

INCHI for NP0309737 (16-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacos-18-ene-3,20-dione)

Structure for NP0309737 (16-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacos-18-ene-3,20-dione)

3D Structure for NP0309737 (16-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacos-18-ene-3,20-dione)