NP-MRD: Showing NP-Card for 10-hydroxy-7-imino-13,14,18,18-tetramethyl-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-19-yl acetate (NP0249474)

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Record Information

Version

2.0

Created at

2022-09-07 12:02:29 UTC

Updated at

2022-09-07 12:02:29 UTC

NP-MRD ID

NP0249474

Secondary Accession Numbers

None

Natural Product Identification

Common Name

10-hydroxy-7-imino-13,14,18,18-tetramethyl-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-19-yl acetate

Description

10-Hydroxy-7-imino-13,14,18,18-tetramethyl-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]Henicosa-3,8,10-trien-19-yl acetate belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring. 10-Hydroxy-7-imino-13,14,18,18-tetramethyl-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]Henicosa-3,8,10-trien-19-yl acetate is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004171504312D          

 31 35  0  0  0  0            999 V2000
    0.2154   -1.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4649   -0.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0913    0.2354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1582    1.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9640    1.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0237    2.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2101    1.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7022    2.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7137    2.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3960    2.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9088    1.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5202    0.5896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3260    0.7666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8822    0.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6327   -0.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8269   -0.8061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2707   -0.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0211   -0.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1889   -1.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9394   -2.0247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9947   -1.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2442   -0.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9956    0.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7129   -0.3418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9037    0.8856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0956    1.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6880    0.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7218    3.4264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4403    3.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4484    4.6568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1507    3.4123    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
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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  2 17  1  0  0  0  0
 12 17  1  0  0  0  0
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 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 22 27  2  0  0  0  0
  9 28  1  0  0  0  0
 28 29  1  0  0  0  0
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 29 31  1  0  0  0  0
M  END

     RDKit          3D

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    0.9682    1.1180    1.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1110    1.0465    0.2963 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3115    1.0223    1.0687 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2636    1.9987    1.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5033    1.9907    1.8557 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0640    3.0108    0.3199 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1122   -0.0228   -0.7552 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6477    0.4820   -2.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5637   -0.4502   -0.9447 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3586   -1.2286   -0.2873 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2893   -2.3679   -1.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7262   -3.5325   -0.3846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5821   -3.2285    0.2532 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6028   -3.6335    1.7153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0627   -1.8261    0.0293 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6805   -1.7860   -1.3726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1799   -1.4396    0.9730 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2327    0.4266   -1.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1533004171504312D          

 31 35  0  0  0  0            999 V2000
    0.2154   -1.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4649   -0.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0913    0.2354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1582    1.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0237    2.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3960    2.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9956    0.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7129   -0.3418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9037    0.8856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0956    1.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6880    0.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7218    3.4264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4403    3.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4484    4.6568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1507    3.4123    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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M  END
> <DATABASE_ID>
NP0249474

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1CCC2C(C)(C)C(CCC22OC3=C(CC12C)C(O)=CC1=C3CNC1=N)OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C25H34N2O4/c1-13-6-7-19-23(3,4)20(30-14(2)28)8-9-25(19)24(13,5)11-16-18(29)10-15-17(21(16)31-25)12-27-22(15)26/h10,13,19-20,29H,6-9,11-12H2,1-5H3,(H2,26,27)

> <INCHI_KEY>
SRQPHLOVMOMPSO-UHFFFAOYSA-N

> <FORMULA>
C25H34N2O4

> <MOLECULAR_WEIGHT>
426.557

> <EXACT_MASS>
426.251857583

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
65

> <JCHEM_AVERAGE_POLARIZABILITY>
47.71673286947768

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
10-hydroxy-7-imino-13,14,18,18-tetramethyl-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-19-yl acetate

> <ALOGPS_LOGP>
4.30

> <JCHEM_LOGP>
3.4534865828330075

> <ALOGPS_LOGS>
-4.74

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
14.9868036420506

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.580023325789899

> <JCHEM_PKA_STRONGEST_BASIC>
10.723469765778432

> <JCHEM_POLAR_SURFACE_AREA>
91.64000000000001

> <JCHEM_REFRACTIVITY>
128.69759999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.83e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
10-hydroxy-7-imino-13,14,18,18-tetramethyl-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-19-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  C   UNK     0       0.402  -2.166   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.868  -0.698   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.170   0.440   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.295   1.907   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.800   2.238   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.911   3.910   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.392   3.654   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.311   5.328   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.199   4.856   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.472   3.881   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.563   2.606   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.838   1.100   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       4.342   1.431   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       5.380   0.294   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.914  -1.174   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.410  -1.505   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.372  -0.367   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.906  -1.835   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.953  -2.312   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       5.487  -3.779   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       7.457  -1.981   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       7.923  -0.513   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       9.325   0.123   0.000  0.00  0.00           C+0
HETATM   24  N   UNK     0      10.664  -0.638   0.000  0.00  0.00           N+0
HETATM   25  N   UNK     0       9.154   1.653   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0       7.645   1.963   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.884   0.624   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       3.214   6.396   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       4.555   7.153   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       4.570   8.693   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       5.881   6.370   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   17                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   12                                                  
CONECT    6    5    7    8    9                                             
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9    6   10   28                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11    5   13   17                                             
CONECT   13   12   14                                                       
CONECT   14   13   15   27                                                  
CONECT   15   14   16   19                                                  
CONECT   16   15   17                                                       
CONECT   17   16    2   12   18                                             
CONECT   18   17                                                            
CONECT   19   15   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23   27                                                  
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   14   22                                                  
CONECT   28    9   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   70    0
END

View in JSmol

Synonyms

Value	Source
10-Hydroxy-7-imino-13,14,18,18-tetramethyl-2-oxa-6-azapentacyclo[11.8.0.0,.0,.0,]henicosa-3,8,10-trien-19-yl acetic acid	Generator
10-Hydroxy-7-imino-13,14,18,18-tetramethyl-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3,8,10-trien-19-yl acetic acid	Generator

Chemical Formula

C₂₅H₃₄N₂O₄

Average Mass

426.5570 Da

Monoisotopic Mass

426.25186 Da

IUPAC Name

10-hydroxy-7-imino-13,14,18,18-tetramethyl-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-19-yl acetate

Traditional Name

10-hydroxy-7-imino-13,14,18,18-tetramethyl-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-19-yl acetate

CAS Registry Number

Not Available

SMILES

CC1CCC2C(C)(C)C(CCC22OC3=C(CC12C)C(O)=CC1=C3CNC1=N)OC(C)=O

InChI Identifier

InChI=1S/C25H34N2O4/c1-13-6-7-19-23(3,4)20(30-14(2)28)8-9-25(19)24(13,5)11-16-18(29)10-15-17(21(16)31-25)12-27-22(15)26/h10,13,19-20,29H,6-9,11-12H2,1-5H3,(H2,26,27)

InChI Key

SRQPHLOVMOMPSO-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

1-benzopyrans

Direct Parent

Xanthenes

Alternative Parents

Substituents

Xanthene
Isoindoline
Isoindole or derivatives
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
Imidolactam
Carboxylic acid ester
Amidine
Carboxylic acid amidine
Carboxylic acid derivative
Ether
Monocarboxylic acid or derivatives
Carboximidamide
Oxacycle
Azacycle
Organopnictogen compound
Organic oxide
Organic nitrogen compound
Organonitrogen 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	4.3	ALOGPS
logP	3.45	ChemAxon
logS	-4.7	ALOGPS
pKa (Strongest Acidic)	8.58	ChemAxon
pKa (Strongest Basic)	10.72	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	91.64 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	128.7 m³·mol⁻¹	ChemAxon
Polarizability	47.72 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

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

85115745

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 10-hydroxy-7-imino-13,14,18,18-tetramethyl-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-19-yl acetate (NP0249474)

MOL for NP0249474 (10-hydroxy-7-imino-13,14,18,18-tetramethyl-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-19-yl acetate)

3D MOL for NP0249474 (10-hydroxy-7-imino-13,14,18,18-tetramethyl-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-19-yl acetate)

3D SDF for NP0249474 (10-hydroxy-7-imino-13,14,18,18-tetramethyl-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-19-yl acetate)

3D-SDF for NP0249474 (10-hydroxy-7-imino-13,14,18,18-tetramethyl-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-19-yl acetate)

PDB for NP0249474 (10-hydroxy-7-imino-13,14,18,18-tetramethyl-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-19-yl acetate)

3D PDB for NP0249474 (10-hydroxy-7-imino-13,14,18,18-tetramethyl-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-19-yl acetate)

SMILES for NP0249474 (10-hydroxy-7-imino-13,14,18,18-tetramethyl-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-19-yl acetate)

INCHI for NP0249474 (10-hydroxy-7-imino-13,14,18,18-tetramethyl-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-19-yl acetate)

Structure for NP0249474 (10-hydroxy-7-imino-13,14,18,18-tetramethyl-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-19-yl acetate)

3D Structure for NP0249474 (10-hydroxy-7-imino-13,14,18,18-tetramethyl-2-oxa-6-azapentacyclo[11.8.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]henicosa-3(11),4(8),9-trien-19-yl acetate)