Molecule ID: 17756117

IUPAC Name: 3,7-dimethyl-2-oxa-6-azatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one

Description: The molecule is an isoquinoline alkaloid that is pyrano[2,3,4-ij]isoquinoline substituted by a hydroxy group at position 8 and methyl groups at positions 2 and 5. It is isolated from the leaves of Cassia siamea and exhibits antiplasmodial activity against Plasmodium falciparum. It has a role as a metabolite and an antimalarial. It is an isoquinoline alkaloid, a member of isoquinolines, a member of phenols, a cyclic ether and an organic heterotricyclic compound.

SMILES: Cc1cc2cc(=O)cc3oc(C)cc([nH]1)c23

SELFIES: [C][C][=C][C][=C][C][=Branch1][C][=O][C][=C][O][C][Branch1][C][C][=C][C][Branch1][Ring2][NH1][Ring1][=C][=C][Ring1][=N][Ring1][Branch2]

InChI: InChI=1S/C13H11NO2/c1-7-3-9-5-10(15)6-12-13(9)11(14-7)4-8(2)16-12/h3-6,14H,1-2H3

Molecular Properties:
- Polar Surface Area: 38.3 Ų
- LogP: 1.1