Marvin  11061212342D          

 31 34  0  0  0  0            999 V2000
    5.9302    1.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9298   -0.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6464    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6459    1.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9331   -0.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2145   -1.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2161   -2.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9354   -2.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6488   -1.2915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6463   -2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3584   -2.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0695   -2.1112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0628   -1.2858    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3542   -0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7768   -0.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3613   -3.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370   -3.3638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2266   -3.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5006   -0.8852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7837   -1.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2106    0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2120    1.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4987    1.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7877    1.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7913    0.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5012   -0.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9282    2.4211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6447    2.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4988    2.4163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801   -0.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7863    2.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 14  9  1  0  0  0  0
  6  7  1  0  0  0  0
 13 15  1  6  0  0  0
 11 16  1  0  0  0  0
  7  8  2  0  0  0  0
  8 17  1  0  0  0  0
  8 10  1  0  0  0  0
 17 18  1  0  0  0  0
  9  5  1  0  0  0  0
  6 19  1  0  0  0  0
  2  5  1  0  0  0  0
 19 20  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
 21 22  1  0  0  0  0
  9 10  2  0  0  0  0
 22 23  1  0  0  0  0
 21  2  2  0  0  0  0
 23 24  2  0  0  0  0
 10 11  1  0  0  0  0
 24 25  1  0  0  0  0
  1 22  2  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 11 12  2  0  0  0  0
  1 27  1  0  0  0  0
  5  6  2  0  0  0  0
 27 28  1  0  0  0  0
 12 13  1  0  0  0  0
 23 29  1  0  0  0  0
  2  3  1  0  0  0  0
 25 30  1  0  0  0  0
 13 14  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
> <ID>
CHEBI:65407

> <NAME>
ancistrotanzanine B

> <DEFINITION>
An isoquinoline alkaloid that is (3S)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinoline substituted by a 4,5-dimethoxy-7-methylnaphthalen-1-yl group at position 5. It is isolated from the leaves of Ancistrocladus tanzaniensis and exhibits antiplasmodial, antileishmanial and antitrypanocidal activities.

> <STAR>
3

> <IUPAC_NAME>
(3S)-5-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinoline

> <FORMULA>
C26H29NO4

> <MASS>
419.51280

> <MONOISOTOPIC_MASS>
419.20966

> <CHARGE>
0

> <SMILES>
COc1cc(OC)c(c2C[C@H](C)N=C(C)c12)-c1ccc(OC)c2c(OC)cc(C)cc12

> <INCHI>
InChI=1S/C26H29NO4/c1-14-10-18-17(8-9-20(28-4)26(18)21(11-14)29-5)25-19-12-15(2)27-16(3)24(19)22(30-6)13-23(25)31-7/h8-11,13,15H,12H2,1-7H3/t15-/m0/s1

> <INCHIKEY>
MIMNIDIHOQDTFD-HNNXBMFYSA-N

> <REAXYS_REGISTRY_NUMBER>
8729671

> <PUBMED_CITATION>
12889879; 14510589

$$$$