NP-MRD: Showing NP-Card for (1s,17s,18s,19r)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-18-yl hexadecanoate (NP0311966)

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Record Information

Version

2.0

Created at

2022-09-11 08:20:29 UTC

Updated at

2022-09-11 08:20:29 UTC

NP-MRD ID

NP0311966

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,17s,18s,19r)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-18-yl hexadecanoate

Description

(1S,17S,18S,19R)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]Nonadeca-2,4(8),9,15-tetraen-18-yl hexadecanoate belongs to the class of organic compounds known as lycorine-type amaryllidaceae alkaloids. These are amaryllidaceae alkaloids compounds containing the lycorine skeleton, made up of a pyrrolo[d,e]phenanthridine ring system. (1s,17s,18s,19r)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-18-yl hexadecanoate is found in Crinum asiaticum. Based on a literature review very few articles have been published on (1S,17S,18S,19R)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]Nonadeca-2,4(8),9,15-tetraen-18-yl hexadecanoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309112210202D          

 38 42  0  0  1  0            999 V2000
   10.0713   -4.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4877   -4.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2504   -4.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9041   -5.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6668   -4.8461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3205   -5.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0832   -5.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7370   -5.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4997   -5.2235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1534   -5.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9161   -5.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5698   -5.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3325   -5.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.7295   -3.8396    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   22.4922   -3.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.4378   -8.5978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 31 36  1  0  0  0  0
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 30 38  1  0  0  0  0
M  END

     RDKit          3D

 85 89  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652309112210202D          

 38 42  0  0  1  0            999 V2000
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   21.4027   -6.2929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8579   -4.9719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6206   -4.6574    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.7295   -3.8396    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.0758   -3.3364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4922   -3.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1460   -4.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9574   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3499   -4.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7811   -5.2024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.8445   -6.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1639   -6.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2274   -7.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5467   -7.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8027   -7.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7392   -6.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4198   -6.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2743   -5.1606    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.0370   -4.8461    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.2338   -8.0212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6264   -8.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4378   -8.5978    0.0000 O   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
  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  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 18  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 28 33  1  0  0  0  0
 34 33  1  6  0  0  0
 19 34  1  0  0  0  0
 34 35  1  0  0  0  0
 23 35  1  0  0  0  0
 35 26  1  6  0  0  0
 31 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 30 38  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0311966

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)C=C2CCN3CC4=CC5=C(OCO5)C=C4[C@H]1[C@H]23

> <INCHI_IDENTIFIER>
InChI=1S/C32H47NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-29(35)38-32-26(34)18-23-16-17-33-21-24-19-27-28(37-22-36-27)20-25(24)30(32)31(23)33/h18-20,26,30-32,34H,2-17,21-22H2,1H3/t26-,30-,31-,32+/m0/s1

> <INCHI_KEY>
ISEQNYHFMBKSNB-NKIORRDJSA-N

> <FORMULA>
C32H47NO5

> <MOLECULAR_WEIGHT>
525.73

> <EXACT_MASS>
525.345423617

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
85

> <JCHEM_AVERAGE_POLARIZABILITY>
63.42771824926132

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,17S,18S,19R)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.0^{2,10}.0^{4,8}.0^{15,19}]nonadeca-2,4(8),9,15-tetraen-18-yl hexadecanoate

> <JCHEM_LOGP>
7.083387712666667

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.764640281808237

> <JCHEM_PKA_STRONGEST_BASIC>
7.96900538497703

> <JCHEM_POLAR_SURFACE_AREA>
68.23

> <JCHEM_REFRACTIVITY>
149.77299999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,17S,18S,19R)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.0^{2,10}.0^{4,8}.0^{15,19}]nonadeca-2,4(8),9,15-tetraen-18-yl hexadecanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  C   UNK     0      18.800  -8.929   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      20.223  -8.342   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      21.444  -9.281   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      22.867  -8.694   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      24.088  -9.633   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      25.511  -9.046   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      26.732  -9.985   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      28.155  -9.398   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      29.376 -10.338   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      30.799  -9.751   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      32.020 -10.690   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      33.443 -10.103   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      34.664 -11.042   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      36.087 -10.455   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      37.308 -11.395   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      38.731 -10.807   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      39.952 -11.747   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      38.935  -9.281   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      40.358  -8.694   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      40.562  -7.167   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      39.342  -6.228   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      41.986  -6.580   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      43.206  -7.520   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      44.720  -7.241   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      45.453  -8.596   0.000  0.00  0.00           C+0
HETATM   26  N   UNK     0      44.391  -9.711   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0      44.510 -11.247   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      43.239 -12.117   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      43.358 -13.652   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      42.087 -14.523   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      40.698 -13.858   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      40.580 -12.322   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      41.850 -11.452   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      41.579  -9.633   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      43.002  -9.046   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      39.636 -14.973   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      40.369 -16.327   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      41.884 -16.049   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20   34                                                  
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24   35                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   35                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   33                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   38                                                  
CONECT   31   30   32   36                                                  
CONECT   32   31   33                                                       
CONECT   33   32   28   34                                                  
CONECT   34   33   19   35                                                  
CONECT   35   34   23   26                                                  
CONECT   36   31   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   30                                                       
MASTER        0    0    0    0    0    0    0    0   38    0   84    0
END

View in JSmol

Synonyms

Value	Source
(1S,17S,18S,19R)-17-Hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.0,.0,.0,]nonadeca-2,4(8),9,15-tetraen-18-yl hexadecanoic acid	Generator

Chemical Formula

C₃₂H₄₇NO₅

Average Mass

525.7300 Da

Monoisotopic Mass

525.34542 Da

IUPAC Name

(1S,17S,18S,19R)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.0^{2,10}.0^{4,8}.0^{15,19}]nonadeca-2,4(8),9,15-tetraen-18-yl hexadecanoate

Traditional Name

(1S,17S,18S,19R)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.0^{2,10}.0^{4,8}.0^{15,19}]nonadeca-2,4(8),9,15-tetraen-18-yl hexadecanoate

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)C=C2CCN3CC4=CC5=C(OCO5)C=C4[C@H]1[C@H]23

InChI Identifier

InChI=1S/C32H47NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-29(35)38-32-26(34)18-23-16-17-33-21-24-19-27-28(37-22-36-27)20-25(24)30(32)31(23)33/h18-20,26,30-32,34H,2-17,21-22H2,1H3/t26-,30-,31-,32+/m0/s1

InChI Key

ISEQNYHFMBKSNB-NKIORRDJSA-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
Crinum asiaticum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as lycorine-type amaryllidaceae alkaloids. These are amaryllidaceae alkaloids compounds containing the lycorine skeleton, made up of a pyrrolo[d,e]phenanthridine ring system.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Amaryllidaceae alkaloids

Sub Class

Lycorine-type amaryllidaceae alkaloids

Direct Parent

Lycorine-type amaryllidaceae alkaloids

Alternative Parents

Substituents

Lycorine skeleton
Benzoquinoline
Phenanthridine
Quinoline
Tetrahydroisoquinoline
Benzodioxole
Indole or derivatives
Fatty acid ester
Aralkylamine
Benzenoid
N-alkylpyrrolidine
Fatty acyl
Pyrrolidine
Tertiary aliphatic amine
Tertiary amine
Secondary alcohol
Amino acid or derivatives
Carboxylic acid ester
Azacycle
Organoheterocyclic compound
Oxacycle
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Acetal
Alcohol
Organopnictogen compound
Organonitrogen compound
Organooxygen compound
Carbonyl group
Organic oxygen compound
Organic nitrogen compound
Organic oxide
Amine
Hydrocarbon derivative
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	7.08	ChemAxon
pKa (Strongest Acidic)	13.76	ChemAxon
pKa (Strongest Basic)	7.97	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	68.23 Å²	ChemAxon
Rotatable Bond Count	16	ChemAxon
Refractivity	149.77 m³·mol⁻¹	ChemAxon
Polarizability	63.43 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

162998417

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,17s,18s,19r)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-18-yl hexadecanoate (NP0311966)

MOL for NP0311966 ((1s,17s,18s,19r)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-18-yl hexadecanoate)

3D MOL for NP0311966 ((1s,17s,18s,19r)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-18-yl hexadecanoate)

3D SDF for NP0311966 ((1s,17s,18s,19r)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-18-yl hexadecanoate)

3D-SDF for NP0311966 ((1s,17s,18s,19r)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-18-yl hexadecanoate)

PDB for NP0311966 ((1s,17s,18s,19r)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-18-yl hexadecanoate)

3D PDB for NP0311966 ((1s,17s,18s,19r)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-18-yl hexadecanoate)

SMILES for NP0311966 ((1s,17s,18s,19r)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-18-yl hexadecanoate)

INCHI for NP0311966 ((1s,17s,18s,19r)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-18-yl hexadecanoate)

Structure for NP0311966 ((1s,17s,18s,19r)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-18-yl hexadecanoate)

3D Structure for NP0311966 ((1s,17s,18s,19r)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-18-yl hexadecanoate)