NP-MRD: Showing NP-Card for (3z,5e,11e,13e)-16-[4-(2,4-dihydroxy-6-isopropyl-5-methyloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one (NP0253395)

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Record Information

Version

2.0

Created at

2022-09-07 17:15:21 UTC

Updated at

2022-09-07 17:15:22 UTC

NP-MRD ID

NP0253395

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3z,5e,11e,13e)-16-[4-(2,4-dihydroxy-6-isopropyl-5-methyloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one

Description

Bafilomycin A1 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. (3z,5e,11e,13e)-16-[4-(2,4-dihydroxy-6-isopropyl-5-methyloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one is found in Streptomyces griseus. (3z,5e,11e,13e)-16-[4-(2,4-dihydroxy-6-isopropyl-5-methyloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one was first documented in 2022 (PMID: 36049333). Based on a literature review a small amount of articles have been published on bafilomycin A1 (PMID: 36037105) (PMID: 36013596) (PMID: 35990905).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072219152D          

 44 45  0  0  0  0            999 V2000
    4.4435   -0.3944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 43  1  0  0  0  0
 43 44  2  0  0  0  0
M  END

     RDKit          3D

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  7 52  1  0
  6 49  1  0
  6 50  1  0
  6 51  1  0
  4 48  1  0
  1 45  1  0
  1 46  1  0
  1 47  1  0
 23 75  1  1
 24 76  1  6
 25 77  1  0
 25 78  1  0
 25 79  1  0
 26 80  1  6
 27 81  1  0
 28 82  1  6
 29 83  1  0
 29 84  1  0
 29 85  1  0
 31 86  1  0
 32 87  1  0
 32 88  1  0
 33 89  1  6
 34 90  1  0
 35 91  1  6
 36 92  1  0
 36 93  1  0
 36 94  1  0
 37 95  1  1
 38 96  1  0
 39 97  1  0
 39 98  1  0
 39 99  1  0
 40100  1  0
 40101  1  0
 40102  1  0
M  END


  Mrv1652309072219152D          

 44 45  0  0  0  0            999 V2000
    4.4435   -0.3944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0002    0.3014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760    0.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9799    1.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6452    1.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2535    0.9972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0732    2.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8746    2.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8386    3.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6900    2.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9721    3.1057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3953    1.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9526    2.5108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8831    1.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7576    0.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9334    0.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9537   -0.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2884   -0.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8604   -1.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0590   -1.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0950   -2.5930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8268   -2.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2436   -1.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9614   -2.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -3.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1490   -2.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6187   -1.9298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8668   -3.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0543   -3.4803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3971   -3.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9274   -3.3370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6826   -4.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6826   -5.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9682   -5.6190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3971   -5.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3971   -6.4440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1116   -5.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8261   -5.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5405   -5.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8261   -6.4440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1116   -4.3815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5383   -1.2153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0505   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2491   -0.7461    0.0000 O   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
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  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
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 37 41  1  0  0  0  0
 30 41  1  0  0  0  0
 23 42  1  0  0  0  0
 42 43  1  0  0  0  0
  3 43  1  0  0  0  0
 43 44  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0253395

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1\C=C\C=C(C)\CC(C)C(O)C(C)\C=C(/C)\C=C(OC)\C(=O)OC1C(C)C(O)C(C)C1(O)CC(O)C(C)C(O1)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C35H58O9/c1-19(2)32-24(7)27(36)18-35(40,44-32)26(9)31(38)25(8)33-28(41-10)14-12-13-20(3)15-22(5)30(37)23(6)16-21(4)17-29(42-11)34(39)43-33/h12-14,16-17,19,22-28,30-33,36-38,40H,15,18H2,1-11H3/b14-12+,20-13+,21-16+,29-17-

> <INCHI_KEY>
XDHNQDDQEHDUTM-YJSQNSDISA-N

> <FORMULA>
C35H58O9

> <MOLECULAR_WEIGHT>
622.84

> <EXACT_MASS>
622.408083448

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
102

> <JCHEM_AVERAGE_POLARIZABILITY>
69.07206105464255

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3Z,5E,11E,13E)-16-{4-[2,4-dihydroxy-5-methyl-6-(propan-2-yl)oxan-2-yl]-3-hydroxypentan-2-yl}-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one

> <JCHEM_LOGP>
5.081522923

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.36775477175016

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.6894535546142

> <JCHEM_PKA_STRONGEST_BASIC>
-0.7344085907907704

> <JCHEM_POLAR_SURFACE_AREA>
134.91

> <JCHEM_REFRACTIVITY>
174.52820000000008

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(3Z,5E,11E,13E)-16-[4-(2,4-dihydroxy-6-isopropyl-5-methyloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0       8.294  -0.736   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       7.467   0.563   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       5.929   0.495   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.562   1.991   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.804   2.902   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.940   1.862   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.603   4.218   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.099   4.585   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.032   6.123   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.621   4.350   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      11.148   5.797   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      11.938   3.551   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      12.978   4.687   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      12.848   2.309   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      12.614   0.787   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      11.076   0.720   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      12.980  -0.709   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      11.738  -1.619   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      10.939  -2.936   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.443  -3.302   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       9.511  -4.840   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      10.877  -5.551   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.921  -3.067   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       7.395  -4.515   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.385  -5.694   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.878  -4.782   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       4.888  -3.602   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       5.351  -6.229   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       3.835  -6.497   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       6.341  -7.409   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       7.331  -6.229   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       5.008  -8.179   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       5.008  -9.719   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       3.674 -10.489   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       6.341 -10.489   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       6.341 -12.029   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       7.675  -9.719   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       9.009 -10.489   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      10.342  -9.719   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       9.009 -12.029   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       7.675  -8.179   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       6.605  -2.269   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0       5.694  -1.027   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0       4.198  -1.393   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   43                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   23                                                  
CONECT   21   20   22                                                       
CONECT   22   21                                                            
CONECT   23   20   24   42                                                  
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   32   41                                             
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38   41                                                  
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38                                                            
CONECT   41   37   30                                                       
CONECT   42   23   43                                                       
CONECT   43   42    3   44                                                  
CONECT   44   43                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   90    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₅H₅₈O₉

Average Mass

622.8400 Da

Monoisotopic Mass

622.40808 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1\C=C\C=C(C)\CC(C)C(O)C(C)\C=C(/C)\C=C(OC)\C(=O)OC1C(C)C(O)C(C)C1(O)CC(O)C(C)C(O1)C(C)C

InChI Identifier

InChI=1S/C35H58O9/c1-19(2)32-24(7)27(36)18-35(40,44-32)26(9)31(38)25(8)33-28(41-10)14-12-13-20(3)15-22(5)30(37)23(6)16-21(4)17-29(42-11)34(39)43-33/h12-14,16-17,19,22-28,30-33,36-38,40H,15,18H2,1-11H3/b14-12+,20-13+,21-16+,29-17-

InChI Key

XDHNQDDQEHDUTM-YJSQNSDISA-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 griseus	LOTUS Database	35616633

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

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

4532304

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Bafilomycin

METLIN ID

Not Available

PubChem Compound

5385089

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

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References

General References

Liu Y, He X, Liu J, Zhang L, Xiong A, Wang J, Liu S, Jiang M, Luo L, Xiong Y, Li G: Transcriptome analysis identifies IL24 as an autophagy modulator in PM2.5 caused lung dysfunction. Ecotoxicol Environ Saf. 2022 Oct 1;244:114039. doi: 10.1016/j.ecoenv.2022.114039. Epub 2022 Aug 30. [PubMed:36049333 ]
Lu ZF, Jiang L, Lesani P, Zhang WJ, Li N, Luo D, Li Y, Ye Y, Bian J, Wang G, Dunstan CR, Jiang XQ, Zreiqat H: Nicotinamide mononucleotide alleviates osteoblast senescence induction and promotes bone healing in osteoporotic mice. J Gerontol A Biol Sci Med Sci. 2022 Aug 29:glac175. doi: 10.1093/gerona/glac175. [PubMed:36037105 ]
Lee JR, Jeong KW: NMDA Receptor Antagonists Degrade Lipofuscin via Autophagy in Human Retinal Pigment Epithelial Cells. Medicina (Kaunas). 2022 Aug 20;58(8):1129. doi: 10.3390/medicina58081129. [PubMed:36013596 ]
Budi YP, Li YH, Huang C, Wang ME, Lin YC, Jong DS, Chiu CH, Jiang YF: The role of autophagy in high-fat diet-induced insulin resistance of adipose tissues in mice. PeerJ. 2022 Aug 15;10:e13867. doi: 10.7717/peerj.13867. eCollection 2022. [PubMed:35990905 ]
LOTUS database [Link]

Showing NP-Card for (3z,5e,11e,13e)-16-[4-(2,4-dihydroxy-6-isopropyl-5-methyloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one (NP0253395)

MOL for NP0253395 ((3z,5e,11e,13e)-16-[4-(2,4-dihydroxy-6-isopropyl-5-methyloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one)

3D MOL for NP0253395 ((3z,5e,11e,13e)-16-[4-(2,4-dihydroxy-6-isopropyl-5-methyloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one)

3D SDF for NP0253395 ((3z,5e,11e,13e)-16-[4-(2,4-dihydroxy-6-isopropyl-5-methyloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one)

3D-SDF for NP0253395 ((3z,5e,11e,13e)-16-[4-(2,4-dihydroxy-6-isopropyl-5-methyloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one)

PDB for NP0253395 ((3z,5e,11e,13e)-16-[4-(2,4-dihydroxy-6-isopropyl-5-methyloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one)

3D PDB for NP0253395 ((3z,5e,11e,13e)-16-[4-(2,4-dihydroxy-6-isopropyl-5-methyloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one)

SMILES for NP0253395 ((3z,5e,11e,13e)-16-[4-(2,4-dihydroxy-6-isopropyl-5-methyloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one)

INCHI for NP0253395 ((3z,5e,11e,13e)-16-[4-(2,4-dihydroxy-6-isopropyl-5-methyloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one)

Structure for NP0253395 ((3z,5e,11e,13e)-16-[4-(2,4-dihydroxy-6-isopropyl-5-methyloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one)

3D Structure for NP0253395 ((3z,5e,11e,13e)-16-[4-(2,4-dihydroxy-6-isopropyl-5-methyloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one)