NP-MRD: Showing NP-Card for 18-(furan-3-yl)-4,9,9,19-tetramethyl-6,16-dioxo-5,17-dioxa-2-azapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,11,14-tetraen-10-yl acetate (NP0222336)

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Record Information

Version

2.0

Created at

2022-09-06 00:08:43 UTC

Updated at

2022-09-06 00:08:43 UTC

NP-MRD ID

NP0222336

Secondary Accession Numbers

None

Natural Product Identification

Common Name

18-(furan-3-yl)-4,9,9,19-tetramethyl-6,16-dioxo-5,17-dioxa-2-azapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,11,14-tetraen-10-yl acetate

Description

18-(Furan-3-yl)-4,9,9,19-tetramethyl-6,16-dioxo-5,17-dioxa-2-azapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]Henicosa-1,3(11),12,14-tetraen-10-yl acetate belongs to the class of organic compounds known as acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocycle which consists of two benzene rings joined by a pyridine ring. 18-(furan-3-yl)-4,9,9,19-tetramethyl-6,16-dioxo-5,17-dioxa-2-azapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,11,14-tetraen-10-yl acetate is found in Xylocarpus granatum. 18-(Furan-3-yl)-4,9,9,19-tetramethyl-6,16-dioxo-5,17-dioxa-2-azapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]Henicosa-1,3(11),12,14-tetraen-10-yl acetate is a strong basic compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004231520402D          

 36 41  0  0  0  0            999 V2000
    2.5231   -0.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1215   -1.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2966   -1.6156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5449   -2.3112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1433   -3.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5666   -3.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3915   -3.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8148   -4.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6397   -4.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0413   -3.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8662   -3.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2678   -2.9691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2895   -4.3979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8879   -5.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3113   -5.8267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1329   -5.9004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167   -6.7047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6086   -7.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9872   -6.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0630   -5.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4863   -5.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6614   -5.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8365   -5.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4132   -5.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5883   -5.1687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1650   -4.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3401   -4.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6871   -5.2217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7974   -5.0946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0388   -4.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6694   -5.1939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -3.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9168   -3.7651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -3.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6122   -2.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2770   -2.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 15 19  1  0  0  0  0
 14 20  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  8 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
  6 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
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 27 33  1  0  0  0  0
 33 34  1  0  0  0  0
  5 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
M  END


  Mrv1533004231520402D          

 36 41  0  0  0  0            999 V2000
    2.5231   -0.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1215   -1.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2966   -1.6156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5449   -2.3112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1433   -3.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5666   -3.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3915   -3.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8148   -4.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6397   -4.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0413   -3.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8662   -3.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2678   -2.9691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2895   -4.3979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8879   -5.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3113   -5.8267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1329   -5.9004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167   -6.7047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6086   -7.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9872   -6.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0630   -5.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4863   -5.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6614   -5.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8365   -5.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4132   -5.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5883   -5.1687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1650   -4.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3401   -4.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6871   -5.2217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7974   -5.0946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0388   -4.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6694   -5.1939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -3.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9168   -3.7651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -3.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6122   -2.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2770   -2.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 15 19  1  0  0  0  0
 14 20  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  8 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
  6 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
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 27 33  1  0  0  0  0
 33 34  1  0  0  0  0
  5 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0222336

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)OC1C2=CC3=C(CCC4(C)C(OC(=O)C=C34)C3=COC=C3)N=C2C2(C)OC(=O)CC2C1(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C28H29NO7/c1-14(30)34-25-17-10-16-18-11-21(31)35-24(15-7-9-33-13-15)27(18,4)8-6-19(16)29-23(17)28(5)20(26(25,2)3)12-22(32)36-28/h7,9-11,13,20,24-25H,6,8,12H2,1-5H3

> <INCHI_KEY>
HGFHCUWWDIJQON-UHFFFAOYSA-N

> <FORMULA>
C28H29NO7

> <MOLECULAR_WEIGHT>
491.54

> <EXACT_MASS>
491.194402278

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
65

> <JCHEM_AVERAGE_POLARIZABILITY>
51.7176387792519

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
18-(furan-3-yl)-4,9,9,19-tetramethyl-6,16-dioxo-5,17-dioxa-2-azapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,11,14-tetraen-10-yl acetate

> <ALOGPS_LOGP>
5.03

> <JCHEM_LOGP>
3.709502780333331

> <ALOGPS_LOGS>
-4.42

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
3.3112061035454476

> <JCHEM_POLAR_SURFACE_AREA>
104.93

> <JCHEM_REFRACTIVITY>
126.75000000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.87e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
18-(furan-3-yl)-4,9,9,19-tetramethyl-6,16-dioxo-5,17-dioxa-2-azapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,11,14-tetraen-10-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 23-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-APR-15         0                                  
HETATM    1  C   UNK     0       4.710  -1.647   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.960  -2.992   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       2.420  -3.016   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       4.750  -4.314   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       4.001  -5.659   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.791  -6.981   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.331  -6.958   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.121  -8.280   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.661  -8.256   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.410  -6.911   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.950  -6.888   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      11.700  -5.542   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      11.740  -8.209   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      10.991  -9.555   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      11.781 -10.876   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      13.315 -11.014   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      13.658 -12.515   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      12.336 -13.306   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      11.176 -12.293   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.451  -9.578   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      10.241 -10.900   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.701 -10.923   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.162 -10.947   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.371  -9.625   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0       4.832  -9.648   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0       4.041  -8.327   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.502  -8.350   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.149  -9.747   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       1.489  -9.510   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       0.072  -8.905   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -1.249  -9.695   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       0.210  -7.371   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       1.711  -7.028   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       2.461  -5.683   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       1.143  -4.887   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       2.384  -4.145   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   34                                                  
CONECT    6    5    7   26                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   24                                                  
CONECT    9    8   10   20                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15   20                                                  
CONECT   15   14   16   19                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   15                                                       
CONECT   20   14    9   21   22                                             
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23    8   25                                                  
CONECT   25   24   26                                                       
CONECT   26   25    6   27                                                  
CONECT   27   26   28   29   33                                             
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32   27   34                                                  
CONECT   34   33    5   35   36                                             
CONECT   35   34                                                            
CONECT   36   34                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   82    0
END

View in JSmol

Synonyms

Value	Source
18-(Furan-3-yl)-4,9,9,19-tetramethyl-6,16-dioxo-5,17-dioxa-2-azapentacyclo[11.8.0.0,.0,.0,]henicosa-1,3(11),12,14-tetraen-10-yl acetic acid	Generator
18-(Furan-3-yl)-4,9,9,19-tetramethyl-6,16-dioxo-5,17-dioxa-2-azapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-1,3(11),12,14-tetraen-10-yl acetic acid	Generator

Chemical Formula

C₂₈H₂₉NO₇

Average Mass

491.5400 Da

Monoisotopic Mass

491.19440 Da

IUPAC Name

18-(furan-3-yl)-4,9,9,19-tetramethyl-6,16-dioxo-5,17-dioxa-2-azapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,11,14-tetraen-10-yl acetate

Traditional Name

18-(furan-3-yl)-4,9,9,19-tetramethyl-6,16-dioxo-5,17-dioxa-2-azapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,11,14-tetraen-10-yl acetate

CAS Registry Number

Not Available

SMILES

CC(=O)OC1C2=CC3=C(CCC4(C)C(OC(=O)C=C34)C3=COC=C3)N=C2C2(C)OC(=O)CC2C1(C)C

InChI Identifier

InChI=1S/C28H29NO7/c1-14(30)34-25-17-10-16-18-11-21(31)35-24(15-7-9-33-13-15)27(18,4)8-6-19(16)29-23(17)28(5)20(26(25,2)3)12-22(32)36-28/h7,9-11,13,20,24-25H,6,8,12H2,1-5H3

InChI Key

HGFHCUWWDIJQON-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Xylocarpus granatum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocycle which consists of two benzene rings joined by a pyridine ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Quinolines and derivatives

Sub Class

Benzoquinolines

Direct Parent

Acridines

Alternative Parents

Substituents

Acridine
Tricarboxylic acid or derivatives
Dihydropyranone
Gamma butyrolactone
Pyran
Pyridine
Furan
Tetrahydrofuran
Heteroaromatic compound
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Lactone
Carboxylic acid ester
Carboxylic acid derivative
Azacycle
Oxacycle
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Organonitrogen compound
Organopnictogen compound
Organic nitrogen compound
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	5.03	ALOGPS
logP	3.71	ChemAxon
logS	-4.4	ALOGPS
pKa (Strongest Basic)	3.31	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	104.93 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	126.75 m³·mol⁻¹	ChemAxon
Polarizability	51.72 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 18-(furan-3-yl)-4,9,9,19-tetramethyl-6,16-dioxo-5,17-dioxa-2-azapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,11,14-tetraen-10-yl acetate (NP0222336)

MOL for NP0222336 (18-(furan-3-yl)-4,9,9,19-tetramethyl-6,16-dioxo-5,17-dioxa-2-azapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,11,14-tetraen-10-yl acetate)

3D MOL for NP0222336 (18-(furan-3-yl)-4,9,9,19-tetramethyl-6,16-dioxo-5,17-dioxa-2-azapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,11,14-tetraen-10-yl acetate)

3D SDF for NP0222336 (18-(furan-3-yl)-4,9,9,19-tetramethyl-6,16-dioxo-5,17-dioxa-2-azapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,11,14-tetraen-10-yl acetate)

3D-SDF for NP0222336 (18-(furan-3-yl)-4,9,9,19-tetramethyl-6,16-dioxo-5,17-dioxa-2-azapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,11,14-tetraen-10-yl acetate)

PDB for NP0222336 (18-(furan-3-yl)-4,9,9,19-tetramethyl-6,16-dioxo-5,17-dioxa-2-azapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,11,14-tetraen-10-yl acetate)

3D PDB for NP0222336 (18-(furan-3-yl)-4,9,9,19-tetramethyl-6,16-dioxo-5,17-dioxa-2-azapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,11,14-tetraen-10-yl acetate)

SMILES for NP0222336 (18-(furan-3-yl)-4,9,9,19-tetramethyl-6,16-dioxo-5,17-dioxa-2-azapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,11,14-tetraen-10-yl acetate)

INCHI for NP0222336 (18-(furan-3-yl)-4,9,9,19-tetramethyl-6,16-dioxo-5,17-dioxa-2-azapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,11,14-tetraen-10-yl acetate)

Structure for NP0222336 (18-(furan-3-yl)-4,9,9,19-tetramethyl-6,16-dioxo-5,17-dioxa-2-azapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,11,14-tetraen-10-yl acetate)

3D Structure for NP0222336 (18-(furan-3-yl)-4,9,9,19-tetramethyl-6,16-dioxo-5,17-dioxa-2-azapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,11,14-tetraen-10-yl acetate)