NP-MRD: Showing NP-Card for (10s,13s)-5-[(3r)-3,7-dimethylocta-1,6-dien-3-yl]-13-(hydroxymethyl)-10-isopropyl-3,9,12-triazatricyclo[6.6.1.0⁴,¹⁵]pentadeca-1,4,6,8(15),11-pentaen-11-ol (NP0226179)

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Record Information

Version

2.0

Created at

2022-09-06 05:08:24 UTC

Updated at

2022-09-06 05:08:24 UTC

NP-MRD ID

NP0226179

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(10s,13s)-5-[(3r)-3,7-dimethylocta-1,6-dien-3-yl]-13-(hydroxymethyl)-10-isopropyl-3,9,12-triazatricyclo[6.6.1.0⁴,¹⁵]pentadeca-1,4,6,8(15),11-pentaen-11-ol

Description

13-N-demethylteleocidin A1 belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. (10s,13s)-5-[(3r)-3,7-dimethylocta-1,6-dien-3-yl]-13-(hydroxymethyl)-10-isopropyl-3,9,12-triazatricyclo[6.6.1.0⁴,¹⁵]pentadeca-1,4,6,8(15),11-pentaen-11-ol is found in Streptomyces blastmyceticus. Based on a literature review very few articles have been published on 13-N-demethylteleocidin A1.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062207082D          

 31 33  0  0  1  0            999 V2000
    0.2694    0.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2029   -0.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1467   -1.0317    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4963   -1.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6006   -1.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2770   -0.9090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0242   -1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7006   -0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4479   -1.1358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6298    0.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8940   -0.6821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9648    0.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7121    0.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2734    0.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3176   -0.8048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8810   -1.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4820   -2.1295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6719   -1.9732    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5704   -1.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000   -1.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3913   -1.0568    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0508   -1.5524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8099   -1.2291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6315   -0.2675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3082    0.4915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9109    1.0549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5727    0.8651    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.4312    2.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
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  3 11  1  0  0  0  0
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 13 14  1  0  0  0  0
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 15 19  1  0  0  0  0
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 28 30  1  0  0  0  0
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 14 31  1  0  0  0  0
M  END

     RDKit          3D

 68 70  0  0  0  0  0  0  0  0999 V2000
    3.2525    2.5974    0.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0012    1.8280   -0.8875 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3053   -2.0596    0.2479 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3996   -0.7734   -0.2389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6201   -2.6308    0.6934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6034   -2.6593   -0.4446 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8845   -3.2987    0.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5447   -4.5208    0.6302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8425   -1.4333   -1.0717 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0795   -0.2677   -0.7019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2834    0.8034   -1.6133 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1680    0.0966    0.7171 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1623    1.2759    0.9106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7591    2.5033    0.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5483    0.8395    0.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1160    0.3541    2.4002 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1596   -0.7514    1.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8882    3.2624    0.4526 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5679    2.3207   -0.9757 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3814    2.2242    0.5957 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9380    2.5508   -0.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2621    2.5164    0.8376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2268   -3.8901   -0.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6908   -2.3323   -0.9649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5093   -3.7329    0.9660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9705   -2.2082    1.6337 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4117   -3.6318   -0.9368 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3  2  1  6
  2  1  2  3
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  1 33  1  0
M  END


  Mrv1652309062207082D          

 31 33  0  0  1  0            999 V2000
    0.2694    0.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2029   -0.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3913   -1.0568    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0508   -1.5524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8099   -1.2291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6315   -0.2675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9109    1.0549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
NP0226179

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)[C@@H]1NC2=C3C(C[C@@H](CO)N=C1O)=CNC3=C(C=C2)[C@](C)(CCC=C(C)C)C=C

> <INCHI_IDENTIFIER>
InChI=1S/C26H37N3O2/c1-7-26(6,12-8-9-16(2)3)20-10-11-21-22-18(14-27-24(20)22)13-19(15-30)28-25(31)23(29-21)17(4)5/h7,9-11,14,17,19,23,27,29-30H,1,8,12-13,15H2,2-6H3,(H,28,31)/t19-,23-,26-/m0/s1

> <INCHI_KEY>
KWVWOXJGHDYSDZ-CZZAQMAHSA-N

> <FORMULA>
C26H37N3O2

> <MOLECULAR_WEIGHT>
423.601

> <EXACT_MASS>
423.288577443

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
68

> <JCHEM_AVERAGE_POLARIZABILITY>
49.5931315216837

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(10S,13S)-5-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-13-(hydroxymethyl)-10-(propan-2-yl)-3,9,12-triazatricyclo[6.6.1.0^{4,15}]pentadeca-1,4,6,8(15),11-pentaen-11-ol

> <JCHEM_LOGP>
5.470271076000001

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.895937557459801

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.205476572233211

> <JCHEM_PKA_STRONGEST_BASIC>
3.159630643552949

> <JCHEM_POLAR_SURFACE_AREA>
80.64

> <JCHEM_REFRACTIVITY>
130.5387

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(10S,13S)-5-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-13-(hydroxymethyl)-10-isopropyl-3,9,12-triazatricyclo[6.6.1.0^{4,15}]pentadeca-1,4,6,8(15),11-pentaen-11-ol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0       0.503   0.732   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.379  -0.531   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.274  -1.926   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.926  -3.321   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.121  -2.578   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.384  -1.697   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.779  -2.349   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -5.041  -1.468   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -6.436  -2.120   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.909   0.067   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.669  -1.273   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.801   0.261   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.196   0.914   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.244   0.035   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.326  -1.502   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.378  -2.627   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.633  -3.975   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       3.121  -3.683   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0       2.931  -2.155   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.907  -2.813   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.197  -1.973   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       9.428  -2.898   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      10.845  -2.294   0.000  0.00  0.00           O+0
HETATM   24  N   UNK     0       8.646  -0.499   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0       8.042   0.917   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       9.167   1.969   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       6.669   1.615   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.855   3.144   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.624   4.069   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       8.272   3.747   0.000  0.00  0.00           C+0
HETATM   31  N   UNK     0       5.169   1.267   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5   11                                             
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    3   12   19                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   31                                                  
CONECT   15   14   16   19                                                  
CONECT   16   15   17   20                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   11   15                                                  
CONECT   20   16   21                                                       
CONECT   21   20   22   24                                                  
CONECT   22   21   23                                                       
CONECT   23   22                                                            
CONECT   24   21   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   31                                                  
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   27   14                                                       
MASTER        0    0    0    0    0    0    0    0   31    0   66    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₆H₃₇N₃O₂

Average Mass

423.6010 Da

Monoisotopic Mass

423.28858 Da

IUPAC Name

(10S,13S)-5-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-13-(hydroxymethyl)-10-(propan-2-yl)-3,9,12-triazatricyclo[6.6.1.0^{4,15}]pentadeca-1,4,6,8(15),11-pentaen-11-ol

Traditional Name

(10S,13S)-5-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-13-(hydroxymethyl)-10-isopropyl-3,9,12-triazatricyclo[6.6.1.0^{4,15}]pentadeca-1,4,6,8(15),11-pentaen-11-ol

CAS Registry Number

Not Available

SMILES

CC(C)[C@@H]1NC2=C3C(C[C@@H](CO)N=C1O)=CNC3=C(C=C2)[C@](C)(CCC=C(C)C)C=C

InChI Identifier

InChI=1S/C26H37N3O2/c1-7-26(6,12-8-9-16(2)3)20-10-11-21-22-18(14-27-24(20)22)13-19(15-30)28-25(31)23(29-21)17(4)5/h7,9-11,14,17,19,23,27,29-30H,1,8,12-13,15H2,2-6H3,(H,28,31)/t19-,23-,26-/m0/s1

InChI Key

KWVWOXJGHDYSDZ-CZZAQMAHSA-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
Streptomyces blastmyceticus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Monoterpenoids

Direct Parent

Aromatic monoterpenoids

Alternative Parents

Substituents

Aromatic monoterpenoid
3-alkylindole
Indole
Indole or derivatives
Secondary aliphatic/aromatic amine
Benzenoid
Pyrrole
Heteroaromatic compound
Cyclic carboximidic acid
Azacycle
Secondary amine
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Organonitrogen compound
Organopnictogen compound
Alcohol
Amine
Organic nitrogen compound
Organic oxygen 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
logP	5.47	ChemAxon
pKa (Strongest Acidic)	5.21	ChemAxon
pKa (Strongest Basic)	3.16	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	80.64 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	130.54 m³·mol⁻¹	ChemAxon
Polarizability	49.59 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	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

156582230

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (10s,13s)-5-[(3r)-3,7-dimethylocta-1,6-dien-3-yl]-13-(hydroxymethyl)-10-isopropyl-3,9,12-triazatricyclo[6.6.1.0⁴,¹⁵]pentadeca-1,4,6,8(15),11-pentaen-11-ol (NP0226179)

MOL for NP0226179 ((10s,13s)-5-[(3r)-3,7-dimethylocta-1,6-dien-3-yl]-13-(hydroxymethyl)-10-isopropyl-3,9,12-triazatricyclo[6.6.1.0⁴,¹⁵]pentadeca-1,4,6,8(15),11-pentaen-11-ol)

3D MOL for NP0226179 ((10s,13s)-5-[(3r)-3,7-dimethylocta-1,6-dien-3-yl]-13-(hydroxymethyl)-10-isopropyl-3,9,12-triazatricyclo[6.6.1.0⁴,¹⁵]pentadeca-1,4,6,8(15),11-pentaen-11-ol)

3D SDF for NP0226179 ((10s,13s)-5-[(3r)-3,7-dimethylocta-1,6-dien-3-yl]-13-(hydroxymethyl)-10-isopropyl-3,9,12-triazatricyclo[6.6.1.0⁴,¹⁵]pentadeca-1,4,6,8(15),11-pentaen-11-ol)

3D-SDF for NP0226179 ((10s,13s)-5-[(3r)-3,7-dimethylocta-1,6-dien-3-yl]-13-(hydroxymethyl)-10-isopropyl-3,9,12-triazatricyclo[6.6.1.0⁴,¹⁵]pentadeca-1,4,6,8(15),11-pentaen-11-ol)

PDB for NP0226179 ((10s,13s)-5-[(3r)-3,7-dimethylocta-1,6-dien-3-yl]-13-(hydroxymethyl)-10-isopropyl-3,9,12-triazatricyclo[6.6.1.0⁴,¹⁵]pentadeca-1,4,6,8(15),11-pentaen-11-ol)

3D PDB for NP0226179 ((10s,13s)-5-[(3r)-3,7-dimethylocta-1,6-dien-3-yl]-13-(hydroxymethyl)-10-isopropyl-3,9,12-triazatricyclo[6.6.1.0⁴,¹⁵]pentadeca-1,4,6,8(15),11-pentaen-11-ol)

SMILES for NP0226179 ((10s,13s)-5-[(3r)-3,7-dimethylocta-1,6-dien-3-yl]-13-(hydroxymethyl)-10-isopropyl-3,9,12-triazatricyclo[6.6.1.0⁴,¹⁵]pentadeca-1,4,6,8(15),11-pentaen-11-ol)

INCHI for NP0226179 ((10s,13s)-5-[(3r)-3,7-dimethylocta-1,6-dien-3-yl]-13-(hydroxymethyl)-10-isopropyl-3,9,12-triazatricyclo[6.6.1.0⁴,¹⁵]pentadeca-1,4,6,8(15),11-pentaen-11-ol)

Structure for NP0226179 ((10s,13s)-5-[(3r)-3,7-dimethylocta-1,6-dien-3-yl]-13-(hydroxymethyl)-10-isopropyl-3,9,12-triazatricyclo[6.6.1.0⁴,¹⁵]pentadeca-1,4,6,8(15),11-pentaen-11-ol)

3D Structure for NP0226179 ((10s,13s)-5-[(3r)-3,7-dimethylocta-1,6-dien-3-yl]-13-(hydroxymethyl)-10-isopropyl-3,9,12-triazatricyclo[6.6.1.0⁴,¹⁵]pentadeca-1,4,6,8(15),11-pentaen-11-ol)