NP-MRD: Showing NP-Card for (1r,2s,10r,12s,13s,15r)-15-(dihydroxymethyl)-10-({[(2r,4s,5r,6s)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}methyl)-12-hydroxy-7-methoxy-6-methyl-11,16-diazatetracyclo[11.2.1.0²,¹¹.0⁴,⁹]hexadeca-4(9),6-diene-5,8-dione (NP0214554)

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Record Information

Version

2.0

Created at

2022-09-05 13:53:22 UTC

Updated at

2022-09-05 13:53:22 UTC

NP-MRD ID

NP0214554

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2s,10r,12s,13s,15r)-15-(dihydroxymethyl)-10-({[(2r,4s,5r,6s)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}methyl)-12-hydroxy-7-methoxy-6-methyl-11,16-diazatetracyclo[11.2.1.0²,¹¹.0⁴,⁹]hexadeca-4(9),6-diene-5,8-dione

Description

Lemonomycin belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars. (1r,2s,10r,12s,13s,15r)-15-(dihydroxymethyl)-10-({[(2r,4s,5r,6s)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}methyl)-12-hydroxy-7-methoxy-6-methyl-11,16-diazatetracyclo[11.2.1.0²,¹¹.0⁴,⁹]hexadeca-4(9),6-diene-5,8-dione is found in Streptomyces candidus. (1r,2s,10r,12s,13s,15r)-15-(dihydroxymethyl)-10-({[(2r,4s,5r,6s)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}methyl)-12-hydroxy-7-methoxy-6-methyl-11,16-diazatetracyclo[11.2.1.0²,¹¹.0⁴,⁹]hexadeca-4(9),6-diene-5,8-dione was first documented in 2009 (PMID: 19196163). Based on a literature review a small amount of articles have been published on Lemonomycin (PMID: 35807568) (PMID: 25957213) (PMID: 25083002) (PMID: 22848018).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052215532D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309052215532D          

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   -0.7518   -4.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7230   -4.1616    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7762   -4.9849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5157   -5.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0898   -5.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4094   -3.7039    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1489   -4.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3562   -2.8806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0311   -0.1373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5795   -0.6922    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3444   -1.4830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3939   -0.5609    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7991    0.1578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4898    0.9226    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0447    1.5331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7934    2.3189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8508    1.3578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6990    1.1577    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2613    0.3853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0221    0.6860    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6643    1.1437    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
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  1  0  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  6  0  0  0
 17 20  1  0  0  0  0
 20 21  1  6  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  6  0  0  0
 24 26  1  0  0  0  0
 15 26  1  0  0  0  0
 12 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  6  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  6  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 32 36  1  0  0  0  0
 36 37  1  6  0  0  0
 30 37  1  6  0  0  0
 36 38  1  0  0  0  0
 38 27  1  1  0  0  0
 38 39  1  0  0  0  0
  8 39  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0214554

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(C)C(=O)C2=C([C@H](CO[C@H]3C[C@](C)(O)[C@@H]([C@H](C)O3)N(C)C)N3[C@@H](O)[C@@H]4C[C@@H](C(O)O)[C@@H](N4)[C@@H]3C2)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C27H41N3O9/c1-11-21(31)13-8-16-20-14(26(34)35)7-15(28-20)25(33)30(16)17(19(13)22(32)23(11)37-6)10-38-18-9-27(3,36)24(29(4)5)12(2)39-18/h12,14-18,20,24-26,28,33-36H,7-10H2,1-6H3/t12-,14+,15-,16-,17-,18+,20+,24+,25-,27-/m0/s1

> <INCHI_KEY>
JXWCEWIDCYAQRW-RNWDBXQFSA-N

> <FORMULA>
C27H41N3O9

> <MOLECULAR_WEIGHT>
551.637

> <EXACT_MASS>
551.284279912

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
80

> <JCHEM_AVERAGE_POLARIZABILITY>
57.11391901294085

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2S,10R,12S,13S,15R)-15-(dihydroxymethyl)-10-({[(2R,4S,5R,6S)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}methyl)-12-hydroxy-7-methoxy-6-methyl-11,16-diazatetracyclo[11.2.1.0^{2,11}.0^{4,9}]hexadeca-4(9),6-diene-5,8-dione

> <JCHEM_LOGP>
-0.3091768106666677

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA>
12.98282727773596

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.079730842015321

> <JCHEM_PKA_STRONGEST_BASIC>
8.895605741200873

> <JCHEM_POLAR_SURFACE_AREA>
161.25999999999996

> <JCHEM_REFRACTIVITY>
139.73649999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2S,10R,12S,13S,15R)-15-(dihydroxymethyl)-10-({[(2R,4S,5R,6S)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}methyl)-12-hydroxy-7-methoxy-6-methyl-11,16-diazatetracyclo[11.2.1.0^{2,11}.0^{4,9}]hexadeca-4(9),6-diene-5,8-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0      -6.861  -2.132   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -6.762  -0.595   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -5.382   0.088   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.282   1.624   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -6.564   2.479   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.902   2.307   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -3.802   3.844   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -2.620   1.452   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.720  -0.084   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.100  -0.767   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -4.200  -2.304   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -1.439  -0.939   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.538  -2.476   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -2.918  -3.158   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -3.018  -4.695   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.736  -5.549   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.836  -7.086   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.305  -6.917   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -1.403  -8.564   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -3.216  -7.768   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0      -3.315  -9.305   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0      -4.696  -9.988   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -2.034 -10.160   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -4.497  -6.914   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -5.878  -7.596   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -4.398  -5.377   0.000  0.00  0.00           O+0
HETATM   27  N   UNK     0      -0.058  -0.256   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0       1.082  -1.292   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       0.643  -2.768   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       2.602  -1.047   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       3.358   0.295   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       2.781   1.722   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       3.817   2.862   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       3.348   4.329   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       5.322   2.535   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       1.305   2.161   0.000  0.00  0.00           C+0
HETATM   37  N   UNK     0       2.354   0.719   0.000  0.00  0.00           N+0
HETATM   38  C   UNK     0       0.041   1.280   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -1.240   2.135   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   10                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   39                                                  
CONECT    9    8   10   12                                                  
CONECT   10    9    3   11                                                  
CONECT   11   10                                                            
CONECT   12    9   13   27                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   26                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   19   20                                             
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   17   21   24                                                  
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   20   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   15                                                       
CONECT   27   12   28   38                                                  
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   37                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   36                                                  
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33                                                            
CONECT   36   32   37   38                                                  
CONECT   37   36   30                                                       
CONECT   38   36   27   39                                                  
CONECT   39   38    8                                                       
MASTER        0    0    0    0    0    0    0    0   39    0   86    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₄₁N₃O₉

Average Mass

551.6370 Da

Monoisotopic Mass

551.28428 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=C(C)C(=O)C2=C([C@H](CO[C@H]3C[C@](C)(O)[C@@H]([C@H](C)O3)N(C)C)N3[C@@H](O)[C@@H]4C[C@@H](C(O)O)[C@@H](N4)[C@@H]3C2)C1=O

InChI Identifier

InChI=1S/C27H41N3O9/c1-11-21(31)13-8-16-20-14(26(34)35)7-15(28-20)25(33)30(16)17(19(13)22(32)23(11)37-6)10-38-18-9-27(3,36)24(29(4)5)12(2)39-18/h12,14-18,20,24-26,28,33-36H,7-10H2,1-6H3/t12-,14+,15-,16-,17-,18+,20+,24+,25-,27-/m0/s1

InChI Key

JXWCEWIDCYAQRW-RNWDBXQFSA-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 candidus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Aminoglycosides

Alternative Parents

Substituents

Aminoglycoside core
Isoquinoline quinone
Isoquinolone
Azepane
N-alkylpiperazine
1,4-diazinane
Oxane
Piperazine
1,3-aminoalcohol
Vinylogous ester
Pyrrolidine
Tertiary alcohol
1,2-aminoalcohol
Hemiaminal
Ketone
Tertiary aliphatic amine
Tertiary amine
Acetal
Azacycle
Oxacycle
Secondary amine
Organoheterocyclic compound
Secondary aliphatic amine
Carbonyl hydrate
Alkanolamine
Organic nitrogen compound
Organic oxide
Organopnictogen compound
Amine
Carbonyl group
Organonitrogen compound
Hydrocarbon derivative
Alcohol
Aldehyde
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

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

8730105

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Lemonomycin

METLIN ID

Not Available

PubChem Compound

10554716

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Tao S, Wang Y, Hong R, Huang SH: Potent Antibiotic Lemonomycin: A Glimpse of Its Discovery, Origin, and Chemical Synthesis. Molecules. 2022 Jul 5;27(13):4324. doi: 10.3390/molecules27134324. [PubMed:35807568 ]
Briegel AC, Cummings AK, Smith GR, Doroski MD, Boyko WJ, Piro NA, Kassel WS, Giuliano RM: Synthesis of lemonose derivatives: methyl 4-amino-3-O,4-N-carbonyl-2,4,6-trideoxy-3-C-methyl-alpha-l-lyxo-pyranoside and its phenyl thioglycoside. Carbohydr Res. 2015 May 29;409:63-8. doi: 10.1016/j.carres.2015.03.006. Epub 2015 Apr 9. [PubMed:25957213 ]
Jimenez-Somarribas A, Williams RM: Synthetic studies on lemonomycin: construction of the tetracyclic core. Tetrahedron. 2013 Sep 2;69(35):7505-7512. doi: 10.1016/j.tet.2013.05.009. [PubMed:25083002 ]
Yoshida A, Akaiwa M, Asakawa T, Hamashima Y, Yokoshima S, Fukuyama T, Kan T: Total synthesis of (-)-lemonomycin. Chemistry. 2012 Sep 3;18(36):11192-5. doi: 10.1002/chem.201202073. Epub 2012 Jul 30. [PubMed:22848018 ]
Wu YC, Bernadat G, Masson G, Couturier C, Schlama T, Zhu J: Synthetic studies on (-)-lemonomycin: an efficient asymmetric synthesis of lemonomycinone amide. J Org Chem. 2009 Mar 6;74(5):2046-52. doi: 10.1021/jo8027449. [PubMed:19196163 ]
LOTUS database [Link]

Showing NP-Card for (1r,2s,10r,12s,13s,15r)-15-(dihydroxymethyl)-10-({[(2r,4s,5r,6s)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}methyl)-12-hydroxy-7-methoxy-6-methyl-11,16-diazatetracyclo[11.2.1.0²,¹¹.0⁴,⁹]hexadeca-4(9),6-diene-5,8-dione (NP0214554)

MOL for NP0214554 ((1r,2s,10r,12s,13s,15r)-15-(dihydroxymethyl)-10-({[(2r,4s,5r,6s)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}methyl)-12-hydroxy-7-methoxy-6-methyl-11,16-diazatetracyclo[11.2.1.0²,¹¹.0⁴,⁹]hexadeca-4(9),6-diene-5,8-dione)

3D MOL for NP0214554 ((1r,2s,10r,12s,13s,15r)-15-(dihydroxymethyl)-10-({[(2r,4s,5r,6s)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}methyl)-12-hydroxy-7-methoxy-6-methyl-11,16-diazatetracyclo[11.2.1.0²,¹¹.0⁴,⁹]hexadeca-4(9),6-diene-5,8-dione)

3D SDF for NP0214554 ((1r,2s,10r,12s,13s,15r)-15-(dihydroxymethyl)-10-({[(2r,4s,5r,6s)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}methyl)-12-hydroxy-7-methoxy-6-methyl-11,16-diazatetracyclo[11.2.1.0²,¹¹.0⁴,⁹]hexadeca-4(9),6-diene-5,8-dione)

3D-SDF for NP0214554 ((1r,2s,10r,12s,13s,15r)-15-(dihydroxymethyl)-10-({[(2r,4s,5r,6s)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}methyl)-12-hydroxy-7-methoxy-6-methyl-11,16-diazatetracyclo[11.2.1.0²,¹¹.0⁴,⁹]hexadeca-4(9),6-diene-5,8-dione)

PDB for NP0214554 ((1r,2s,10r,12s,13s,15r)-15-(dihydroxymethyl)-10-({[(2r,4s,5r,6s)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}methyl)-12-hydroxy-7-methoxy-6-methyl-11,16-diazatetracyclo[11.2.1.0²,¹¹.0⁴,⁹]hexadeca-4(9),6-diene-5,8-dione)

3D PDB for NP0214554 ((1r,2s,10r,12s,13s,15r)-15-(dihydroxymethyl)-10-({[(2r,4s,5r,6s)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}methyl)-12-hydroxy-7-methoxy-6-methyl-11,16-diazatetracyclo[11.2.1.0²,¹¹.0⁴,⁹]hexadeca-4(9),6-diene-5,8-dione)

SMILES for NP0214554 ((1r,2s,10r,12s,13s,15r)-15-(dihydroxymethyl)-10-({[(2r,4s,5r,6s)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}methyl)-12-hydroxy-7-methoxy-6-methyl-11,16-diazatetracyclo[11.2.1.0²,¹¹.0⁴,⁹]hexadeca-4(9),6-diene-5,8-dione)

INCHI for NP0214554 ((1r,2s,10r,12s,13s,15r)-15-(dihydroxymethyl)-10-({[(2r,4s,5r,6s)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}methyl)-12-hydroxy-7-methoxy-6-methyl-11,16-diazatetracyclo[11.2.1.0²,¹¹.0⁴,⁹]hexadeca-4(9),6-diene-5,8-dione)

Structure for NP0214554 ((1r,2s,10r,12s,13s,15r)-15-(dihydroxymethyl)-10-({[(2r,4s,5r,6s)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}methyl)-12-hydroxy-7-methoxy-6-methyl-11,16-diazatetracyclo[11.2.1.0²,¹¹.0⁴,⁹]hexadeca-4(9),6-diene-5,8-dione)

3D Structure for NP0214554 ((1r,2s,10r,12s,13s,15r)-15-(dihydroxymethyl)-10-({[(2r,4s,5r,6s)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}methyl)-12-hydroxy-7-methoxy-6-methyl-11,16-diazatetracyclo[11.2.1.0²,¹¹.0⁴,⁹]hexadeca-4(9),6-diene-5,8-dione)