Mrv0541 10101309112D          

 30 32  0  0  0  0            999 V2000
   11.3417  -25.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3458  -26.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6333  -26.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9208  -26.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6208  -24.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0542  -24.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9125  -25.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0458  -24.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7542  -23.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2083  -26.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0292  -22.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7667  -25.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4750  -23.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7458  -22.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0208  -21.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4792  -24.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0625  -26.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2083  -27.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4917  -26.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6333  -27.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6167  -24.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792  -27.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4917  -27.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792  -26.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1875  -23.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625  -27.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3042  -21.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7333  -21.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3500  -27.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000  -23.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  4  1  0  0  0  0
 11 14  1  0  0  0  0
 12  6  2  0  0  0  0
 13 16  2  0  0  0  0
 14  9  1  0  0  0  0
 15 11  2  0  0  0  0
 16 12  1  0  0  0  0
 17  2  1  0  0  0  0
 18 10  1  0  0  0  0
 19 10  2  0  0  0  0
 20  3  1  0  0  0  0
 21  5  1  0  0  0  0
 22 24  2  0  0  0  0
 23 18  2  0  0  0  0
 24 19  1  0  0  0  0
 25 13  1  0  0  0  0
 26 22  1  0  0  0  0
 27 15  1  0  0  0  0
 28 15  1  0  0  0  0
 29 20  1  0  0  0  0
 30 21  1  0  0  0  0
  3  4  2  0  0  0  0
  9 13  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
> <ID>
CHEBI:67533

> <NAME>
prenylterphenyllin

> <DEFINITION>
A para-terphenyl that is 1,1ʼ:4ʼ,1ʼʼ-terphenyl substituted by methoxy groups at positions 3ʼ and 6ʼ, a prenyl group at position 3 and hydroxy groups at positions 2ʼ, 4 and 4ʼʼ. Isolated from the fungus, Aspergillus taichungensis, it exhibits cytotoxic activity.

> <STAR>
3

> <IUPAC_NAME>
3',6'-dimethoxy-3-(3-methylbut-2-en-1-yl)-1,1':4',1''-terphenyl-2',4,4''-triol

> <FORMULA>
C25H26O5

> <MASS>
406.47090

> <MONOISOTOPIC_MASS>
406.17802

> <CHARGE>
0

> <SMILES>
COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(O)c(CC=C(C)C)c1

> <INCHI>
InChI=1S/C25H26O5/c1-15(2)5-6-17-13-18(9-12-21(17)27)23-22(29-3)14-20(25(30-4)24(23)28)16-7-10-19(26)11-8-16/h5,7-14,26-28H,6H2,1-4H3

> <INCHIKEY>
YEVBMDOXFLFVJJ-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
21577511

> <PUBMED_CITATION>
21486068

$$$$