Marvin  02251313392D          

 17 19  0  0  0  0            999 V2000
    0.0557  -23.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5894  -22.4475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3040  -21.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5087  -21.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7582  -22.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0419  -22.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4075  -23.4449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0925  -22.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8642  -22.1948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4338  -21.6044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2314  -21.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4567  -22.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8859  -23.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3364  -23.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2577  -22.7988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8333  -22.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4031  -22.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  8  9  1  0  0  0  0
  4  6  1  0  0  0  0
  9 10  1  0  0  0  0
  5  6  1  0  0  0  0
 10 11  2  0  0  0  0
  1  2  1  0  0  0  0
 11 12  1  0  0  0  0
  5  1  2  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
  2  3  1  0  0  0  0
  1 14  1  0  0  0  0
  6  9  2  0  0  0  0
 12 15  1  0  0  0  0
  8  7  2  0  0  0  0
 15 16  1  0  0  0  0
  7  5  1  0  0  0  0
  2 17  1  0  0  0  0
M  END
> <ID>
CHEBI:66005

> <NAME>
N(2)-methylharmine

> <DEFINITION>
A member of the class of β-carbolines that is 9H-β-carboline substituted by a methoxy group at position 7 and methyl groups at positions 1 and 2. It is a semisynthetic derivative of harmine and has been shown to exhibit significant anti-HIV activity.

> <STAR>
3

> <SYNONYM>
7-methoxy-1,2-dimethyl-2H-pyrido[3,4-b]indole

> <IUPAC_NAME>
7-methoxy-1,2-dimethyl-2H-beta-carboline

> <FORMULA>
C14H14N2O

> <MASS>
226.27380

> <MONOISOTOPIC_MASS>
226.11061

> <CHARGE>
0

> <SMILES>
COc1ccc2c(c1)nc1c(C)n(C)ccc21

> <INCHI>
InChI=1S/C14H14N2O/c1-9-14-12(6-7-16(9)2)11-5-4-10(17-3)8-13(11)15-14/h4-8H,1-3H3

> <INCHIKEY>
SNPOLGTUMADPOR-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
6519-18-2

> <REAXYS_REGISTRY_NUMBER>
15521

> <CHEMIDPLUS>
6519-18-2

> <PUBMED_CITATION>
11473435

$$$$