Marvin  01151317032D          

 19 22  0  0  0  0            999 V2000
    1.0362   -0.7715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0334    0.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3161    0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3179   -1.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1112   -2.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3977   -2.4189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3200   -2.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3957   -0.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0925   -1.0898    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6334   -0.4652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2047    0.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6011    0.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4258    0.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8528    0.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4542   -0.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4087    0.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8315   -2.4096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0352   -2.4224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0345   -3.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  4  1  2  0  0  0  0
  2  3  2  0  0  0  0
  3 16  1  0  0  0  0
  4  8  1  0  0  0  0
  4  7  1  0  0  0  0
  9  5  1  0  0  0  0
  5 17  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  2  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  2  0  0  0  0
 10  9  1  0  0  0  0
 10 11  2  0  0  0  0
 15 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <ID>
CHEBI:65813

> <NAME>
drymaritin

> <DEFINITION>
An indole alkaloid that is canthin-6-one substituted by a methoxy group at position 4. Isolated from the whole plants of Drymaria diandra, it exhibits anti-HIV activity.

> <STAR>
3

> <SYNONYM>
4-methoxycanthin-6-one

> <IUPAC_NAME>
4-methoxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one

> <FORMULA>
C15H10N2O2

> <MASS>
250.25210

> <MONOISOTOPIC_MASS>
250.07423

> <CHARGE>
0

> <SMILES>
COc1cc(=O)n2c3ccccc3c3ccnc1c23

> <INCHI>
InChI=1S/C15H10N2O2/c1-19-12-8-13(18)17-11-5-3-2-4-9(11)10-6-7-16-14(12)15(10)17/h2-8H,1H3

> <INCHIKEY>
DRUBOMIDMLWOQH-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
10007683

> <PUBMED_CITATION>
15270576; 19848436

$$$$