NP-MRD: Showing NP-Card for Albocycline (NP0065052)

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Record Information

Version

2.0

Created at

2022-04-28 09:19:52 UTC

Updated at

2022-04-28 09:19:52 UTC

NP-MRD ID

NP0065052

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Albocycline

Description

Albocycline 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. Albocycline is found in Streptomyces brunneogriseus and Streptomyces sp.. Albocycline was first documented in 2017 (PMID: 28669076). Based on a literature review a small amount of articles have been published on Albocycline (PMID: 30358064) (PMID: 33477021) (PMID: 32827630) (PMID: 29805074).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 50 50  0  0  0  0  0  0  0  0999 V2000
   -3.3564   -1.0850    1.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0307   -1.0328    0.8868 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8772   -1.3189   -0.4347 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2285   -0.2903   -1.2783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0801    0.9784   -1.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5089    1.8585   -0.0005 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9938    2.2211   -0.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2996    1.3928    1.2693 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7277    3.1546   -0.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3592    3.3651    0.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9726    2.4284    1.6022 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0563    2.8469    2.8259 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4524    1.1758    1.2857 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5856    0.8208    0.5709 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2113    1.9771   -0.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880   -0.3741   -0.3189 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6879   -0.6536   -1.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1604   -1.5882    0.5564 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6957   -1.7373    0.8686 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0299   -2.7758    0.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1288   -2.6260   -0.5274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7438   -3.7290   -1.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6936   -2.1392    1.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0086   -0.3593    0.8252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3747   -0.9623    2.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9076   -1.5127   -0.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8086   -0.7459   -2.2227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5376    1.5221   -1.9313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5427    2.0140    0.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4716    1.5994   -0.9169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1366    3.2749   -0.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9523    1.8316    1.8734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1315    3.9007   -0.7295 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8761    4.3460    0.5889 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3757    0.4994    1.3158 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1774    2.8584    0.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2762    1.7193   -0.3588 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7554    2.1360   -1.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6184   -0.1959   -1.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5265   -1.6405   -1.5739 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8663    0.1389   -1.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5163   -0.7368   -0.3369 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7209   -1.5311    1.5008 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4965   -2.5265    0.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6198   -1.9522    1.9778 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2533   -0.7374    0.7573 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5489   -3.7429   -0.0142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -4.7113   -0.9915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8223   -3.7952   -1.0733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5627   -3.5603   -2.3929 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  1
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21  3  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  3 26  1  6
  4 27  1  0
  5 28  1  0
  7 29  1  0
  7 30  1  0
  7 31  1  0
  8 32  1  0
  9 33  1  0
 10 34  1  0
 14 35  1  1
 15 36  1  0
 15 37  1  0
 15 38  1  0
 16 39  1  6
 17 40  1  0
 17 41  1  0
 17 42  1  0
 18 43  1  0
 18 44  1  0
 19 45  1  0
 19 46  1  0
 20 47  1  0
 22 48  1  0
 22 49  1  0
 22 50  1  0
M  END


  Mrv1652304282211192D          

 22 22  0  0  1  0            999 V2000
    2.5006   -1.0312    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5006   -1.8562    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7862   -2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.2062    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0717    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    1.8562    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5006    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3989    2.5847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1735    2.5847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.6187    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
  5  6  2  0  0  0  0
  6  7  1  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  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  1 15  1  0  0  0  0
 10 16  1  6  0  0  0
 10 17  1  1  0  0  0
  7 18  1  1  0  0  0
 18 19  1  0  0  0  0
  6 20  1  0  0  0  0
  2 21  1  1  0  0  0
  1 22  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0065052

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CO[C@H]1\C=C\[C@@](C)(O)\C=C\C(=O)O[C@H](C)[C@@H](C)CC\C=C1/C

> <INCHI_IDENTIFIER>
InChI=1S/C18H28O4/c1-13-7-6-8-14(2)16(21-5)9-11-18(4,20)12-10-17(19)22-15(13)3/h8-13,15-16,20H,6-7H2,1-5H3/b11-9+,12-10+,14-8+/t13-,15+,16-,18+/m0/s1

> <INCHI_KEY>
BYWWNDLILWPPJP-REXWONOSSA-N

> <FORMULA>
C18H28O4

> <MOLECULAR_WEIGHT>
308.418

> <EXACT_MASS>
308.198759382

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
50

> <JCHEM_AVERAGE_POLARIZABILITY>
34.77530230421673

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(3E,5R,6E,8S,9E,13S,14R)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one

> <ALOGPS_LOGP>
3.84

> <JCHEM_LOGP>
3.4567878809999995

> <ALOGPS_LOGS>
-3.78

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.244355061816783

> <JCHEM_PKA_STRONGEST_BASIC>
-3.129319095961339

> <JCHEM_POLAR_SURFACE_AREA>
55.760000000000005

> <JCHEM_REFRACTIVITY>
90.32840000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.16e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3E,5R,6E,8S,9E,13S,14R)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0       4.668  -1.925   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.668  -3.465   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.334  -4.235   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.001  -3.465   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.001  -1.925   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.667  -1.155   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.667   0.385   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.001   1.155   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.001   2.695   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.334   3.465   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.668   2.695   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.668   1.155   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.002   0.385   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       7.335   1.155   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       6.002  -1.155   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       2.611   4.825   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       4.057   4.825   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -0.667   1.155   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -2.001   0.385   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -0.667  -1.925   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.002  -4.235   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.334  -1.155   0.000  0.00  0.00           C+0
CONECT    1    2   15   22                                                  
CONECT    2    1    3   21                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   20                                                  
CONECT    7    6    8   18                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   16   17                                             
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13    1                                                       
CONECT   16   10                                                            
CONECT   17   10                                                            
CONECT   18    7   19                                                       
CONECT   19   18                                                            
CONECT   20    6                                                            
CONECT   21    2                                                            
CONECT   22    1                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   44    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₈H₂₈O₄

Average Mass

308.4180 Da

Monoisotopic Mass

308.19876 Da

IUPAC Name

(3E,5R,6E,8S,9E,13S,14R)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one

Traditional Name

(3E,5R,6E,8S,9E,13S,14R)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one

CAS Registry Number

Not Available

SMILES

CO[C@H]1\C=C\[C@@](C)(O)\C=C\C(=O)O[C@H](C)[C@@H](C)CC\C=C1/C

InChI Identifier

InChI=1S/C18H28O4/c1-13-7-6-8-14(2)16(21-5)9-11-18(4,20)12-10-17(19)22-15(13)3/h8-13,15-16,20H,6-7H2,1-5H3/b11-9+,12-10+,14-8+/t13-,15+,16-,18+/m0/s1

InChI Key

BYWWNDLILWPPJP-REXWONOSSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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 brunneogriseus	LOTUS Database	35616633
Streptomyces sp.	Bacteria	KNApSAcK

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

Macrolide
Tertiary alcohol
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Carboxylic acid ester
Lactone
Monocarboxylic acid or derivatives
Ether
Dialkyl ether
Carboxylic acid derivative
Oxacycle
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Organic oxygen compound
Alcohol
Carbonyl group
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic 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	3.84	ALOGPS
logP	3.46	ChemAxon
logS	-3.8	ALOGPS
pKa (Strongest Acidic)	14.24	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	55.76 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	90.33 m³·mol⁻¹	ChemAxon
Polarizability	34.78 Å³	ChemAxon
Number of Rings	1	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

C00016029

Chemspider ID

4945205

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6440973

PDB ID

Not Available

ChEBI ID

182469

Good Scents ID

Not Available

References

General References

Gu CZ, Yuan SH, Lu J, Qiao YJ, Song YY, Abdalla Elzaki ME, Yang CR, Zhang YJ, Zeng RS: Albocycline-type Macrolides with Antibacterial Activities from Streptomyces sp. 4205. Chem Biodivers. 2019 Jan;16(1):e1800344. doi: 10.1002/cbdv.201800344. Epub 2018 Dec 17. [PubMed:30358064 ]
Scherzi T, D'Ambrosio EA, Daher SS, Grimes CL, Dunman PM, Andrade RB: Staphylococcus aureus resistance to albocycline can be achieved by mutations that alter cellular NAD/PH pools. Bioorg Med Chem. 2021 Feb 15;32:115995. doi: 10.1016/j.bmc.2021.115995. Epub 2021 Jan 7. [PubMed:33477021 ]
Daher SS, Franklin KP, Scherzi T, Dunman PM, Andrade RB: Synthesis and biological evaluation of semi-synthetic albocycline analogs. Bioorg Med Chem Lett. 2020 Nov 1;30(21):127509. doi: 10.1016/j.bmcl.2020.127509. Epub 2020 Aug 19. [PubMed:32827630 ]
Liang H, Zhou G, Ge Y, D'Ambrosio EA, Eidem TM, Blanchard C, Shehatou C, Chatare VK, Dunman PM, Valentine AM, Voelz VA, Grimes CL, Andrade RB: Elucidating the inhibition of peptidoglycan biosynthesis in Staphylococcus aureus by albocycline, a macrolactone isolated from Streptomyces maizeus. Bioorg Med Chem. 2018 Jul 23;26(12):3453-3460. doi: 10.1016/j.bmc.2018.05.017. Epub 2018 May 24. [PubMed:29805074 ]
Managamuri U, Vijayalakshmi M, Ganduri VSRK, Rajulapati SB, Bonigala B, Kalyani BS, Poda S: Isolation, identification, optimization, and metabolite profiling of Streptomyces sparsus VSM-30. 3 Biotech. 2017 Jul;7(3):217. doi: 10.1007/s13205-017-0835-1. Epub 2017 Jul 1. [PubMed:28669076 ]

Showing NP-Card for Albocycline (NP0065052)

MOL for NP0065052 (Albocycline)

3D MOL for NP0065052 (Albocycline)

3D SDF for NP0065052 (Albocycline)

3D-SDF for NP0065052 (Albocycline)

PDB for NP0065052 (Albocycline)

3D PDB for NP0065052 (Albocycline)

SMILES for NP0065052 (Albocycline)

INCHI for NP0065052 (Albocycline)

Structure for NP0065052 (Albocycline)

3D Structure for NP0065052 (Albocycline)