Microsource Spectrum01503906

01503906
  -ISIS-  05100513512D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.6917   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9417   -1.9875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0292   -2.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -0.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -2.2625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7000   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2875   -1.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0750   -2.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -3.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9125    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  1  4  1  6  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  2  8  1  6  0  0  0
  9  6  2  0  0  0  0
 10  8  1  0  0  0  0
  5 11  1  1  0  0  0
 12 16  2  0  0  0  0
 13 10  1  0  0  0  0
 14 10  2  0  0  0  0
 15 13  2  0  0  0  0
 16 14  1  0  0  0  0
 17 12  1  0  0  0  0
 18  6  1  0  0  0  0
 19 17  1  0  0  0  0
  3  7  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <ID> (538980348)
01503906

>  <MOLENAME> (538980348)
ANISOMYCIN

>  <plate> (538980348)
013011

>  <position> (538980348)
E08

>  <therap> (538980348)
antiprotozoal, antifungal, protein synthesis inhibitor

>  <source> (538980348)
Streptomyces griseolus

$$$$

[C@@H]1([C@H](NC[C@@H]1O)Cc1ccc(cc1)OC)OC(=O)C	01503906

InChI=1/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13+,14+/m1/s1

To be implemented TODO

Library	Microsource Spectrum
ID	01503906
Name	ANISOMYCIN
Formula	C14H19NO4
Molecular Weight	265.305

Format	Plate	Well
384	3	J15
96	11	E08

Physicochemical Properties

ACG 0

AOH 1.000

ARB 6

AT 19.000

AlogP98 0.878

B 0

BAG 1.000

BIC 0.766

BON 20

Br 0

CHI-0 13.828

CHI-1 9.097

CHI-2 8.139

CHI-3_C 1.355

CHI-3_CH 0

CHI-3_P 6.253

CHI-V-0 11.128

CHI-V-1 6.315

CHI-V-2 4.708

CHI-V-3_C 0.571

CHI-V-3_CH 0

CHI-V-3_P 3.282

CIC 0.737

Cl 0

E-ADJ-mag 310.764

E-DIST-mag 3333.109

F 0

FRB 0.250

GDI 6.933

GRA 0.821

HA1 4

HA2 4

HAL 0

HD1 2

HD2 1.000

Hbond acceptor 5.000

Hbond donor 2

I 0

IAC-Total 57.408

IC 3.511

JX 1.938

KS1 15.390

KS2 7.136

Kappa-1 15.390

Kappa-1-AM 14.146

Kappa-2 7.136

Kappa-2-AM 6.253

Kappa-3 4.231

Kappa-3-AM 3.605

LGP 1.045

MR 68.458

N 1.000

NO2 0

O 4

OSO 0

P 0

PHI 4.655

POL 72.370

ROT 5.000

Rotlbonds 6

S 0

SC-0 19.000

SC-1 20

SC-2 27.000

SC-3_C 6

SC-3_CH 0

SC-3_P 33.000

SIC 0.827

SO 0

SO2 0

TDI 11.000

TRA 1.000

V-ADJ-mag 212.877

V-DIST-mag 2953.264

Wiener 759.000

ZI1 94

Zagreb 94

show 66 more...

Sample Information

therap antiprotozoal, antifungal, protein synthesis inhibitor

source Streptomyces griseolus

weight 265.30496

position E08

Relevant Screens

Screen ID	Screen Name	Compound Activity
161	Trafficking Pathways in Root Tip	no information