NP-MRD: Showing NP-Card for 11,12-dimethyl 19-formyl-22-oxo-6,8-dioxa-11,19-diazahexacyclo[13.5.3.0¹,¹².0²,¹⁰.0⁵,⁹.0¹⁵,²⁰]tricosa-2(10),3,5(9)-triene-11,12-dicarboxylate (NP0180653)

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Record Information

Version

2.0

Created at

2022-09-03 19:02:39 UTC

Updated at

2022-09-03 19:02:39 UTC

NP-MRD ID

NP0180653

Secondary Accession Numbers

None

Natural Product Identification

Common Name

11,12-dimethyl 19-formyl-22-oxo-6,8-dioxa-11,19-diazahexacyclo[13.5.3.0¹,¹².0²,¹⁰.0⁵,⁹.0¹⁵,²⁰]tricosa-2(10),3,5(9)-triene-11,12-dicarboxylate

Description

11,12-Dimethyl 19-formyl-22-oxo-6,8-dioxa-11,19-diazahexacyclo[13.5.3.0¹,¹².0²,¹⁰.0⁵,⁹.0¹⁵,²⁰]Tricosa-2(10),3,5(9)-triene-11,12-dicarboxylate belongs to the class of organic compounds known as carbazoles. Carbazoles are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring. Based on a literature review very few articles have been published on 11,12-dimethyl 19-formyl-22-oxo-6,8-dioxa-11,19-diazahexacyclo[13.5.3.0¹,¹².0²,¹⁰.0⁵,⁹.0¹⁵,²⁰]Tricosa-2(10),3,5(9)-triene-11,12-dicarboxylate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309032221022D          

 34 39  0  0  0  0            999 V2000
    3.3868    1.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9769    1.2099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1519    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7368    1.9199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7420    0.4910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0993   -0.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4844   -0.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6531   -1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369   -1.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0519   -1.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8831   -0.5161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5989   -0.1060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2102   -0.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8720   -1.4127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7078   -0.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4825   -1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5616   -1.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7183   -2.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9985   -0.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7300    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3330   -0.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1468   -1.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3576   -1.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2453   -1.0443    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0344   -1.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2206   -2.0886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0591   -0.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5061    0.8283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3146    1.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9091    0.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2064    1.1888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3372    2.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6885    1.8311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1266    1.7037    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  2  0  0  0  0
  3  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  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  6 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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  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
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M  END

     RDKit          3D

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   -2.7427   -1.4167   -1.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0236   -1.7641   -1.0033 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7573   -2.2415   -2.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7373   -2.5347   -3.0495 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4359    0.2475   -0.5164 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9158    1.3828   -1.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3244    1.7701   -1.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0002    2.2801   -2.0513 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9282    1.5385    0.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4221    0.3460    0.8770 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6200   -0.4868    1.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4302   -0.9241    0.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5799   -1.3568   -1.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1912   -1.5354   -0.6816 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5352   -2.7238   -1.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8924    1.0504   -2.4849 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0463    1.5982    0.1320 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2504    0.1383    1.9467 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0895   -0.0932   -0.2190 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0898   -1.7467    0.4318 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0080   -2.3135   -1.4560 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1652309032221022D          

 34 39  0  0  0  0            999 V2000
    3.3868    1.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9769    1.2099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7368    1.9199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7420    0.4910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0993   -0.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4844   -0.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6531   -1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0344   -1.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2206   -2.0886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0591   -0.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3372    2.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
NP0180653

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)N1C2=C(C=CC3=C2OCO3)C23CC(=O)CC4(CCCN(C=O)C24)CCC13C(=O)OC

> <INCHI_IDENTIFIER>
InChI=1S/C24H26N2O8/c1-31-20(29)24-8-7-22-6-3-9-25(12-27)19(22)23(24,11-14(28)10-22)15-4-5-16-18(34-13-33-16)17(15)26(24)21(30)32-2/h4-5,12,19H,3,6-11,13H2,1-2H3

> <INCHI_KEY>
JHZSPIZZIWORMX-UHFFFAOYSA-N

> <FORMULA>
C24H26N2O8

> <MOLECULAR_WEIGHT>
470.478

> <EXACT_MASS>
470.168915805

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
60

> <JCHEM_AVERAGE_POLARIZABILITY>
46.897439597410745

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
11,12-dimethyl 19-formyl-22-oxo-6,8-dioxa-11,19-diazahexacyclo[13.5.3.0^{1,12}.0^{2,10}.0^{5,9}.0^{15,20}]tricosa-2(10),3,5(9)-triene-11,12-dicarboxylate

> <JCHEM_LOGP>
1.0441393259999994

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
17.219327353379263

> <JCHEM_PKA_STRONGEST_BASIC>
-0.5074613086570628

> <JCHEM_POLAR_SURFACE_AREA>
111.67999999999999

> <JCHEM_REFRACTIVITY>
114.44409999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
11,12-dimethyl 19-formyl-22-oxo-6,8-dioxa-11,19-diazahexacyclo[13.5.3.0^{1,12}.0^{2,10}.0^{5,9}.0^{15,20}]tricosa-2(10),3,5(9)-triene-11,12-dicarboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0       6.322   3.595   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       5.557   2.258   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       4.017   2.253   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       3.242   3.584   0.000  0.00  0.00           O+0
HETATM    5  N   UNK     0       3.252   0.916   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0       3.919  -0.483   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.771  -1.509   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.086  -3.017   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.549  -3.497   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.697  -2.471   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.382  -0.963   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       6.718  -0.198   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       7.859  -1.232   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       7.228  -2.637   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       1.321  -0.818   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.901  -2.466   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.048  -2.650   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -1.341  -4.210   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -1.864  -1.520   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.363   0.000   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.488  -1.051   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -2.141  -2.551   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.668  -3.001   0.000  0.00  0.00           C+0
HETATM   24  N   UNK     0       0.458  -1.949   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0       1.931  -2.399   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       2.278  -3.899   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       0.110  -0.449   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -0.945   1.546   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       0.587   1.979   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.697   0.783   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       2.252   2.219   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       2.496   3.740   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       1.285   3.418   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -0.236   3.180   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   30                                                  
CONECT    6    5    7   11                                                  
CONECT    7    6    8   15                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   14                                                  
CONECT   11   10    6   12                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   10                                                       
CONECT   15    7   16   27   30                                             
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21   27   28                                             
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   27                                                  
CONECT   25   24   26                                                       
CONECT   26   25                                                            
CONECT   27   24   20   15                                                  
CONECT   28   20   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29    5   15   31                                             
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   78    0
END

View in JSmol

Synonyms

Value	Source
11,12-Dimethyl 19-formyl-22-oxo-6,8-dioxa-11,19-diazahexacyclo[13.5.3.0,.0,.0,.0,]tricosa-2(10),3,5(9)-triene-11,12-dicarboxylic acid	Generator

Chemical Formula

C₂₄H₂₆N₂O₈

Average Mass

470.4780 Da

Monoisotopic Mass

470.16892 Da

IUPAC Name

11,12-dimethyl 19-formyl-22-oxo-6,8-dioxa-11,19-diazahexacyclo[13.5.3.0^{1,12}.0^{2,10}.0^{5,9}.0^{15,20}]tricosa-2(10),3,5(9)-triene-11,12-dicarboxylate

Traditional Name

11,12-dimethyl 19-formyl-22-oxo-6,8-dioxa-11,19-diazahexacyclo[13.5.3.0^{1,12}.0^{2,10}.0^{5,9}.0^{15,20}]tricosa-2(10),3,5(9)-triene-11,12-dicarboxylate

CAS Registry Number

Not Available

SMILES

COC(=O)N1C2=C(C=CC3=C2OCO3)C23CC(=O)CC4(CCCN(C=O)C24)CCC13C(=O)OC

InChI Identifier

InChI=1S/C24H26N2O8/c1-31-20(29)24-8-7-22-6-3-9-25(12-27)19(22)23(24,11-14(28)10-22)15-4-5-16-18(34-13-33-16)17(15)26(24)21(30)32-2/h4-5,12,19H,3,6-11,13H2,1-2H3

InChI Key

JHZSPIZZIWORMX-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 carbazoles. Carbazoles are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Carbazoles

Direct Parent

Carbazoles

Alternative Parents

Substituents

Alpha-amino acid ester
Carbazole
Indolecarboxylic acid
Indolecarboxylic acid derivative
Alpha-amino acid or derivatives
Quinolidine
Benzodioxole
Benzenoid
Piperidine
Methyl ester
Carbamic acid ester
Tertiary carboxylic acid amide
Carboxylic acid ester
Cyclic ketone
Carboxamide group
Ketone
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Azacycle
Oxacycle
Acetal
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Aldehyde
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	1.04	ChemAxon
pKa (Strongest Acidic)	17.22	ChemAxon
pKa (Strongest Basic)	-0.51	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	111.68 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	114.44 m³·mol⁻¹	ChemAxon
Polarizability	46.9 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

73193302

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 11,12-dimethyl 19-formyl-22-oxo-6,8-dioxa-11,19-diazahexacyclo[13.5.3.0¹,¹².0²,¹⁰.0⁵,⁹.0¹⁵,²⁰]tricosa-2(10),3,5(9)-triene-11,12-dicarboxylate (NP0180653)

MOL for NP0180653 (11,12-dimethyl 19-formyl-22-oxo-6,8-dioxa-11,19-diazahexacyclo[13.5.3.0¹,¹².0²,¹⁰.0⁵,⁹.0¹⁵,²⁰]tricosa-2(10),3,5(9)-triene-11,12-dicarboxylate)

3D MOL for NP0180653 (11,12-dimethyl 19-formyl-22-oxo-6,8-dioxa-11,19-diazahexacyclo[13.5.3.0¹,¹².0²,¹⁰.0⁵,⁹.0¹⁵,²⁰]tricosa-2(10),3,5(9)-triene-11,12-dicarboxylate)

3D SDF for NP0180653 (11,12-dimethyl 19-formyl-22-oxo-6,8-dioxa-11,19-diazahexacyclo[13.5.3.0¹,¹².0²,¹⁰.0⁵,⁹.0¹⁵,²⁰]tricosa-2(10),3,5(9)-triene-11,12-dicarboxylate)

3D-SDF for NP0180653 (11,12-dimethyl 19-formyl-22-oxo-6,8-dioxa-11,19-diazahexacyclo[13.5.3.0¹,¹².0²,¹⁰.0⁵,⁹.0¹⁵,²⁰]tricosa-2(10),3,5(9)-triene-11,12-dicarboxylate)

PDB for NP0180653 (11,12-dimethyl 19-formyl-22-oxo-6,8-dioxa-11,19-diazahexacyclo[13.5.3.0¹,¹².0²,¹⁰.0⁵,⁹.0¹⁵,²⁰]tricosa-2(10),3,5(9)-triene-11,12-dicarboxylate)

3D PDB for NP0180653 (11,12-dimethyl 19-formyl-22-oxo-6,8-dioxa-11,19-diazahexacyclo[13.5.3.0¹,¹².0²,¹⁰.0⁵,⁹.0¹⁵,²⁰]tricosa-2(10),3,5(9)-triene-11,12-dicarboxylate)

SMILES for NP0180653 (11,12-dimethyl 19-formyl-22-oxo-6,8-dioxa-11,19-diazahexacyclo[13.5.3.0¹,¹².0²,¹⁰.0⁵,⁹.0¹⁵,²⁰]tricosa-2(10),3,5(9)-triene-11,12-dicarboxylate)

INCHI for NP0180653 (11,12-dimethyl 19-formyl-22-oxo-6,8-dioxa-11,19-diazahexacyclo[13.5.3.0¹,¹².0²,¹⁰.0⁵,⁹.0¹⁵,²⁰]tricosa-2(10),3,5(9)-triene-11,12-dicarboxylate)

Structure for NP0180653 (11,12-dimethyl 19-formyl-22-oxo-6,8-dioxa-11,19-diazahexacyclo[13.5.3.0¹,¹².0²,¹⁰.0⁵,⁹.0¹⁵,²⁰]tricosa-2(10),3,5(9)-triene-11,12-dicarboxylate)

3D Structure for NP0180653 (11,12-dimethyl 19-formyl-22-oxo-6,8-dioxa-11,19-diazahexacyclo[13.5.3.0¹,¹².0²,¹⁰.0⁵,⁹.0¹⁵,²⁰]tricosa-2(10),3,5(9)-triene-11,12-dicarboxylate)