NP-MRD: Showing NP-Card for 4-ethylidene-7-hydroxy-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione (NP0315355)

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Record Information

Version

2.0

Created at

2022-09-11 13:56:56 UTC

Updated at

2022-09-11 13:56:57 UTC

NP-MRD ID

NP0315355

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-ethylidene-7-hydroxy-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione

Description

4-Ethylidene-7-hydroxy-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]Heptadec-11-ene-3,8-dione belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. 4-Ethylidene-7-hydroxy-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]Heptadec-11-ene-3,8-dione is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 46 48  0  0  0  0  0  0  0  0999 V2000
    2.8176    3.0932    0.9297 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8495    1.7440    0.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8423    1.3130   -0.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9611   -0.0308   -1.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6132   -1.0296   -0.1860 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9131   -1.5298   -0.7881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6376   -2.1878    0.0101 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9308   -1.9344    1.1758 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7584   -2.2706   -1.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3063   -2.5636   -2.2766 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5912   -2.0517   -1.1624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5170   -2.5321   -0.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4959   -1.4162    0.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5814   -1.4226    0.7974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2520   -0.0888    0.7671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6371    0.5345   -0.3782 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4316    1.9229   -0.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1970    1.8066    0.8455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3090    0.7905    0.1060 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5597    1.5360   -0.8051 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6420    2.1481   -0.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8641    3.3973   -0.6882 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3479   -0.0799   -0.5697 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6501    3.1819    1.6589 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8305    3.1691    1.4178 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9828    3.8558    0.1646 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7153    1.1126    0.3786 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5408    0.1231   -2.0237 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9402   -0.2993   -1.4251 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8533   -0.6536    0.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9372   -1.4559   -1.8824 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0685   -2.5679   -0.4295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7336   -0.9213   -0.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1871   -3.1386    0.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3614   -2.3184    1.9773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0510   -3.3891   -0.7413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1057   -2.9523    0.6843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9189   -2.3096    1.3680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3213   -0.2807    0.5174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1227    0.4330    1.7128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3085    2.2766    0.5319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2643    2.5813   -0.8836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4046    1.5112    1.8727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7196    2.8055    0.8641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7408    0.2117    0.8302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0595   -0.1232   -1.6452 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 19 23  1  0
 21  3  1  0
 23 13  1  0
 23 16  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  0
  4 28  1  0
  4 29  1  0
  5 30  1  1
  6 31  1  0
  6 32  1  0
  6 33  1  0
  7 34  1  1
  8 35  1  0
 12 36  1  0
 12 37  1  0
 14 38  1  0
 15 39  1  0
 15 40  1  0
 17 41  1  0
 17 42  1  0
 18 43  1  0
 18 44  1  0
 19 45  1  1
 23 46  1  6
M  END


  Mrv1533004151517042D          

 23 25  0  0  0  0            999 V2000
    5.3780    3.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9824    2.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7982    2.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4026    1.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2184    0.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4299    0.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8228    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6113    0.3759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6386   -0.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2430   -1.2325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8501   -0.9135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2458   -0.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4572   -0.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9619   -1.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1814   -0.9871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1943   -0.1622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7199    0.5127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152    1.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0370    0.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8255    1.0138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0097    1.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4053    2.3796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8529   -0.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  4  0  0  0
  2  3  2  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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  3 21  1  0  0  0  0
 21 22  2  0  0  0  0
 19 23  1  0  0  0  0
 13 23  1  0  0  0  0
 16 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0315355

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC=C1CC(C)C(O)C(=O)OCC2=CCN3CCC(OC1=O)C23

> <INCHI_IDENTIFIER>
InChI=1S/C17H23NO5/c1-3-11-8-10(2)15(19)17(21)22-9-12-4-6-18-7-5-13(14(12)18)23-16(11)20/h3-4,10,13-15,19H,5-9H2,1-2H3

> <INCHI_KEY>
GDNOZPZFNGELHS-UHFFFAOYSA-N

> <FORMULA>
C17H23NO5

> <MOLECULAR_WEIGHT>
321.373

> <EXACT_MASS>
321.157622845

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
46

> <JCHEM_AVERAGE_POLARIZABILITY>
33.99642535714891

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-ethylidene-7-hydroxy-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione

> <ALOGPS_LOGP>
1.07

> <JCHEM_LOGP>
1.2110967293333335

> <ALOGPS_LOGS>
-1.42

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.468992040532417

> <JCHEM_PKA_STRONGEST_BASIC>
7.1360693537678115

> <JCHEM_POLAR_SURFACE_AREA>
76.07

> <JCHEM_REFRACTIVITY>
84.6933

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.23e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-ethylidene-7-hydroxy-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 15-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-APR-15         0                                  
HETATM    1  C   UNK     0      10.039   6.396   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      11.167   5.348   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.823   3.846   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.951   2.798   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.608   1.297   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.136   0.844   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      12.736   0.249   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      14.208   0.702   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      12.392  -1.252   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      13.520  -2.301   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      10.920  -1.705   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       9.792  -0.657   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.320  -1.110   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.396  -2.341   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.939  -1.843   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0       5.963  -0.303   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0       5.077   0.957   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.002   2.189   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.536   1.440   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       9.008   1.892   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       9.351   3.394   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       8.223   4.442   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       7.192  -0.062   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   21                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   23                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   23                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   23                                                  
CONECT   20   19   21                                                       
CONECT   21   20    3   22                                                  
CONECT   22   21                                                            
CONECT   23   19   13   16                                                  
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₇H₂₃NO₅

Average Mass

321.3730 Da

Monoisotopic Mass

321.15762 Da

IUPAC Name

4-ethylidene-7-hydroxy-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione

Traditional Name

4-ethylidene-7-hydroxy-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione

CAS Registry Number

Not Available

SMILES

CC=C1CC(C)C(O)C(=O)OCC2=CCN3CCC(OC1=O)C23

InChI Identifier

InChI=1S/C17H23NO5/c1-3-11-8-10(2)15(19)17(21)22-9-12-4-6-18-7-5-13(14(12)18)23-16(11)20/h3-4,10,13-15,19H,5-9H2,1-2H3

InChI Key

GDNOZPZFNGELHS-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 macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolides and analogues

Sub Class

Not Available

Direct Parent

Macrolides and analogues

Alternative Parents

Substituents

Senecionan-skeleton
Macrolide
Alkaloid or derivatives
Pyrrolizine
Dicarboxylic acid or derivatives
N-alkylpyrrolidine
Pyrrolidine
Pyrroline
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Amino acid or derivatives
Carboxylic acid ester
Lactone
Secondary alcohol
Tertiary amine
Tertiary aliphatic amine
Carboxylic acid derivative
Oxacycle
Azacycle
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Organonitrogen compound
Organopnictogen compound
Organic nitrogen compound
Organic oxygen compound
Amine
Alcohol
Carbonyl group
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	1.07	ALOGPS
logP	1.21	ChemAxon
logS	-1.4	ALOGPS
pKa (Strongest Acidic)	12.47	ChemAxon
pKa (Strongest Basic)	7.14	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	76.07 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	84.69 m³·mol⁻¹	ChemAxon
Polarizability	34 Å³	ChemAxon
Number of Rings	3	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

73228410

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 4-ethylidene-7-hydroxy-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione (NP0315355)

MOL for NP0315355 (4-ethylidene-7-hydroxy-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione)

3D MOL for NP0315355 (4-ethylidene-7-hydroxy-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione)

3D SDF for NP0315355 (4-ethylidene-7-hydroxy-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione)

3D-SDF for NP0315355 (4-ethylidene-7-hydroxy-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione)

PDB for NP0315355 (4-ethylidene-7-hydroxy-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione)

3D PDB for NP0315355 (4-ethylidene-7-hydroxy-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione)

SMILES for NP0315355 (4-ethylidene-7-hydroxy-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione)

INCHI for NP0315355 (4-ethylidene-7-hydroxy-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione)

Structure for NP0315355 (4-ethylidene-7-hydroxy-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione)

3D Structure for NP0315355 (4-ethylidene-7-hydroxy-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione)