1.0 2026-09-21 17:00:26 UTC 2026-09-21 17:00:26 UTC FDB116772 8-O-methylbostrycoidin 6-hydroxy-7,9-dimethoxy-3-methyl-benzo[g]isoquinoline-5,10-dione 6-hydroxy-7,9-dimethoxy-3-methylbenzo[g]isoquinoline-5,10-dione C16H13NO5 299.282 299.079372523 6-hydroxy-7,9-dimethoxy-3-methyl-5H,10H-benzo[g]isoquinoline-5,10-dione 8-O-methylbostrycoidin COC1=CC(OC)=C2C(=O)C3=CN=C(C)C=C3C(=O)C2=C1O InChI=1S/C16H13NO5/c1-7-4-8-9(6-17-7)15(19)12-10(21-2)5-11(22-3)16(20)13(12)14(8)18/h4-6,20H,1-3H3 IVBXHDBKVLRPEJ-UHFFFAOYSA-N belongs to the class of organic compounds known as isoquinoline quinones. These are isoquinoline derivative with a structure containing a 5,8-dihydroisoquinoline-5,8-dione skeleton. Isoquinoline quinones Organic compounds Organoheterocyclic compounds Isoquinolines and derivatives Isoquinoline quinones Aromatic heteropolycyclic compounds Alkyl aryl ethers Anisoles Aryl ketones Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Methylpyridines Naphthalenes Organic oxides Organonitrogen compounds Organopnictogen compounds Pyridinecarboxylic acids and derivatives Vinylogous acids Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl ketone Azacycle Benzenoid Ether Heteroaromatic compound Hydrocarbon derivative Isoquinoline quinone Ketone Methylpyridine Naphthalene Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyridine Pyridine carboxylic acid or derivatives Vinylogous acid logp 1.91 ALOGPS logs -3.21 ALOGPS solubility 1.86e-01 g/l ALOGPS logp 1.86 ChemAxon pka_strongest_acidic 9.28 ChemAxon pka_strongest_basic 2.63 ChemAxon iupac 6-hydroxy-7,9-dimethoxy-3-methyl-5H,10H-benzo[g]isoquinoline-5,10-dione ChemAxon average_mass 299.282 ChemAxon mono_mass 299.079372523 ChemAxon smiles COC1=CC(OC)=C2C(=O)C3=CN=C(C)C=C3C(=O)C2=C1O ChemAxon formula C16H13NO5 ChemAxon inchi InChI=1S/C16H13NO5/c1-7-4-8-9(6-17-7)15(19)12-10(21-2)5-11(22-3)16(20)13(12)14(8)18/h4-6,20H,1-3H3 ChemAxon inchikey IVBXHDBKVLRPEJ-UHFFFAOYSA-N ChemAxon polar_surface_area 85.72 ChemAxon refractivity 78.49 ChemAxon polarizability 29.92 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 3632340 Specdb::MsMs 3632341 Specdb::MsMs 3632342 Specdb::MsMs 3632343 Specdb::MsMs 3632344 Specdb::MsMs 3632345 Specdb::CMs 1088927 Specdb::NmrOneD 258568 Specdb::NmrOneD 258569 Specdb::NmrOneD 258570 Specdb::NmrOneD 258571 Specdb::NmrOneD 258572 Specdb::NmrOneD 258573 Specdb::NmrOneD 258574 Specdb::NmrOneD 258575 Specdb::NmrOneD 258576 Specdb::NmrOneD 258577 Specdb::NmrOneD 258578 Specdb::NmrOneD 258579 Specdb::NmrOneD 258580 Specdb::NmrOneD 258581 Specdb::NmrOneD 258582 Specdb::NmrOneD 258583 Specdb::NmrOneD 258584 Specdb::NmrOneD 258585 Specdb::NmrOneD 258586 Specdb::NmrOneD 258587