NP-MRD: Showing NP-Card for 1-[25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0²,⁶.0⁶,²².0⁷,¹².0¹⁴,²².0¹⁶,²¹]pentacosa-7,9,11,16,18,20-hexaen-3-yl]-3-hydroxyhexan-1-one (NP0329027)

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Record Information

Version

2.0

Created at

2022-09-12 13:00:50 UTC

Updated at

2022-09-12 13:00:50 UTC

NP-MRD ID

NP0329027

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-[25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0²,⁶.0⁶,²².0⁷,¹².0¹⁴,²².0¹⁶,²¹]pentacosa-7,9,11,16,18,20-hexaen-3-yl]-3-hydroxyhexan-1-one

Description

1-[25-(3,3-Dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0²,⁶.0⁶,²².0⁷,¹².0¹⁴,²².0¹⁶,²¹]Pentacosa-7,9,11,16,18,20-hexaen-3-yl]-3-hydroxyhexan-1-one belongs to the class of organic compounds known as alpha carbolines. These are organic compounds containing a pyrido[2,3-b]indole core (which is a pyridine fused to an indole). Based on a literature review very few articles have been published on 1-[25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0²,⁶.0⁶,²².0⁷,¹².0¹⁴,²².0¹⁶,²¹]Pentacosa-7,9,11,16,18,20-hexaen-3-yl]-3-hydroxyhexan-1-one.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309122215002D          

 39 46  0  0  0  0            999 V2000
    9.4288    5.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7251    5.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7463    4.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0426    4.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3178    4.6548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0637    3.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3601    3.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353    3.3994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3812    2.1806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0902    1.7398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6086    1.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7621    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2303    0.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8376    0.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6248    0.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8048   -0.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1975   -0.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4103   -0.6982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6067   -0.9220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0399   -0.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4604   -0.9285    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6079   -1.7402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7088   -0.5582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0693   -1.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4968   -0.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7317    0.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4360    0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0757    0.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8925    0.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5285    1.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667    2.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8436    1.8837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    1.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4354    2.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6697    2.4733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3185    2.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1308    3.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0092    3.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6753    1.6899    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
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  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  2  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  2  0  0  0  0
 13 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
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 20 29  1  0  0  0  0
 12 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 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
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 32 39  1  0  0  0  0
  9 39  1  0  0  0  0
 12 39  1  0  0  0  0
M  END


  Mrv1652309122215002D          

 39 46  0  0  0  0            999 V2000
    9.4288    5.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7251    5.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7463    4.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0426    4.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3178    4.6548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0637    3.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3601    3.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353    3.3994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3812    2.1806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0902    1.7398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6086    1.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7621    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2303    0.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8376    0.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6248    0.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8048   -0.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1975   -0.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4103   -0.6982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6067   -0.9220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0399   -0.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4604   -0.9285    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6079   -1.7402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7088   -0.5582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0693   -1.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4968   -0.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7317    0.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4360    0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0757    0.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8925    0.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5285    1.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667    2.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8436    1.8837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    1.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4354    2.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6697    2.4733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3185    2.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1308    3.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0092    3.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6753    1.6899    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
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  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  2  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  2  0  0  0  0
 13 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
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 20 29  1  0  0  0  0
 12 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 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
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 32 39  1  0  0  0  0
  9 39  1  0  0  0  0
 12 39  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0329027

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCC(O)CC(=O)N1CCC23C1N1CCC22C(NC4=CC=CC=C34)N(C)C3=CC=CC(C1C1OC1(C)C)=C23

> <INCHI_IDENTIFIER>
InChI=1S/C32H40N4O3/c1-5-9-19(37)18-24(38)35-16-14-31-21-11-6-7-12-22(21)33-28-32(31)15-17-36(29(31)35)26(27-30(2,3)39-27)20-10-8-13-23(25(20)32)34(28)4/h6-8,10-13,19,26-29,33,37H,5,9,14-18H2,1-4H3

> <INCHI_KEY>
MDCQGUSSMLOSLN-UHFFFAOYSA-N

> <FORMULA>
C32H40N4O3

> <MOLECULAR_WEIGHT>
528.697

> <EXACT_MASS>
528.310041164

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
79

> <JCHEM_AVERAGE_POLARIZABILITY>
59.04781438508401

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-[25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0^{2,6}.0^{6,22}.0^{7,12}.0^{14,22}.0^{16,21}]pentacosa-7,9,11,16,18,20-hexaen-3-yl]-3-hydroxyhexan-1-one

> <JCHEM_LOGP>
3.8618919653333323

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.410750706131658

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.037981295949088

> <JCHEM_PKA_STRONGEST_BASIC>
6.161711153623391

> <JCHEM_POLAR_SURFACE_AREA>
71.58

> <JCHEM_REFRACTIVITY>
152.3861

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
1-[25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0^{2,6}.0^{6,22}.0^{7,12}.0^{14,22}.0^{16,21}]pentacosa-7,9,11,16,18,20-hexaen-3-yl]-3-hydroxyhexan-1-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0      17.600  11.101   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      16.287  10.297   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      16.326   8.757   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      15.013   7.953   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      13.660   8.689   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      15.052   6.414   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      13.739   5.610   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      12.386   6.346   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0      13.778   4.071   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      15.102   3.248   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      14.203   1.978   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      12.623   1.540   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      13.497   0.200   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      14.630   1.242   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      16.100   0.782   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      16.436  -0.721   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      15.302  -1.764   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      13.833  -1.303   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0      12.332  -1.721   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0      11.275  -0.580   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0      10.193  -1.733   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0      10.468  -3.248   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.790  -1.042   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       7.596  -2.099   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.527  -0.954   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.966   0.583   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       8.281   1.519   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       9.475   0.427   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      10.999   1.025   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      10.320   2.505   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       9.644   4.119   0.000  0.00  0.00           C+0
HETATM   32  N   UNK     0      10.908   3.516   0.000  0.00  0.00           N+0
HETATM   33  C   UNK     0       9.231   2.833   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       8.279   4.044   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       6.850   4.617   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       8.061   5.568   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       7.711   7.068   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       9.351   6.410   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      12.460   3.154   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   39                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   29   39                                             
CONECT   13   12   14   18                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   13   19                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   29                                                  
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   28                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   33                                                  
CONECT   28   27   23   29                                                  
CONECT   29   28   20   12   30                                             
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   39                                                  
CONECT   33   32   27   34                                                  
CONECT   34   33   35   36                                                  
CONECT   35   34   36                                                       
CONECT   36   35   34   37   38                                             
CONECT   37   36                                                            
CONECT   38   36                                                            
CONECT   39   32    9   12                                                  
MASTER        0    0    0    0    0    0    0    0   39    0   92    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₂H₄₀N₄O₃

Average Mass

528.6970 Da

Monoisotopic Mass

528.31004 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCCC(O)CC(=O)N1CCC23C1N1CCC22C(NC4=CC=CC=C34)N(C)C3=CC=CC(C1C1OC1(C)C)=C23

InChI Identifier

InChI=1S/C32H40N4O3/c1-5-9-19(37)18-24(38)35-16-14-31-21-11-6-7-12-22(21)33-28-32(31)15-17-36(29(31)35)26(27-30(2,3)39-27)20-10-8-13-23(25(20)32)34(28)4/h6-8,10-13,19,26-29,33,37H,5,9,14-18H2,1-4H3

InChI Key

MDCQGUSSMLOSLN-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alpha carbolines. These are organic compounds containing a pyrido[2,3-b]indole core (which is a pyridine fused to an indole).

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Pyridoindoles

Direct Parent

Alpha carbolines

Alternative Parents

Substituents

Alpha-carboline
Aminoquinoline
Benzazepine
Diazanaphthalene
Naphthyridine
Tetrahydroquinoline
Dialkylarylamine
N-acylpyrrolidine
Secondary aliphatic/aromatic amine
Azepine
Benzenoid
Piperidine
Tertiary carboxylic acid amide
Pyrrolidine
Amino acid or derivatives
Carboxamide group
Secondary alcohol
Carboxylic acid derivative
Secondary amine
Azacycle
Oxacycle
Ether
Oxirane
Dialkyl ether
Alcohol
Organonitrogen compound
Organooxygen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Amine
Organic nitrogen compound
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

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

163063457

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 1-[25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0²,⁶.0⁶,²².0⁷,¹².0¹⁴,²².0¹⁶,²¹]pentacosa-7,9,11,16,18,20-hexaen-3-yl]-3-hydroxyhexan-1-one (NP0329027)

MOL for NP0329027 (1-[25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0²,⁶.0⁶,²².0⁷,¹².0¹⁴,²².0¹⁶,²¹]pentacosa-7,9,11,16,18,20-hexaen-3-yl]-3-hydroxyhexan-1-one)

3D MOL for NP0329027 (1-[25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0²,⁶.0⁶,²².0⁷,¹².0¹⁴,²².0¹⁶,²¹]pentacosa-7,9,11,16,18,20-hexaen-3-yl]-3-hydroxyhexan-1-one)

3D SDF for NP0329027 (1-[25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0²,⁶.0⁶,²².0⁷,¹².0¹⁴,²².0¹⁶,²¹]pentacosa-7,9,11,16,18,20-hexaen-3-yl]-3-hydroxyhexan-1-one)

3D-SDF for NP0329027 (1-[25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0²,⁶.0⁶,²².0⁷,¹².0¹⁴,²².0¹⁶,²¹]pentacosa-7,9,11,16,18,20-hexaen-3-yl]-3-hydroxyhexan-1-one)

PDB for NP0329027 (1-[25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0²,⁶.0⁶,²².0⁷,¹².0¹⁴,²².0¹⁶,²¹]pentacosa-7,9,11,16,18,20-hexaen-3-yl]-3-hydroxyhexan-1-one)

3D PDB for NP0329027 (1-[25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0²,⁶.0⁶,²².0⁷,¹².0¹⁴,²².0¹⁶,²¹]pentacosa-7,9,11,16,18,20-hexaen-3-yl]-3-hydroxyhexan-1-one)

SMILES for NP0329027 (1-[25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0²,⁶.0⁶,²².0⁷,¹².0¹⁴,²².0¹⁶,²¹]pentacosa-7,9,11,16,18,20-hexaen-3-yl]-3-hydroxyhexan-1-one)

INCHI for NP0329027 (1-[25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0²,⁶.0⁶,²².0⁷,¹².0¹⁴,²².0¹⁶,²¹]pentacosa-7,9,11,16,18,20-hexaen-3-yl]-3-hydroxyhexan-1-one)

Structure for NP0329027 (1-[25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0²,⁶.0⁶,²².0⁷,¹².0¹⁴,²².0¹⁶,²¹]pentacosa-7,9,11,16,18,20-hexaen-3-yl]-3-hydroxyhexan-1-one)

3D Structure for NP0329027 (1-[25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0²,⁶.0⁶,²².0⁷,¹².0¹⁴,²².0¹⁶,²¹]pentacosa-7,9,11,16,18,20-hexaen-3-yl]-3-hydroxyhexan-1-one)