1.0 2010-04-08 22:09:42 UTC 2018-05-28 23:30:50 UTC FDB011536 Isoaurasperone A Mycotoxin from Aspergillus niger infected mango fruits. Isoaurasperone Isoaurasperone A C32H26O10 570.5428 570.152597052 6-hydroxy-10-{6-hydroxy-5,8-dimethoxy-2-methyl-4-oxo-4H-benzo[g]chromen-7-yl}-5,8-dimethoxy-2-methyl-4H-benzo[g]chromen-4-one 6-hydroxy-10-{6-hydroxy-5,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-7-yl}-5,8-dimethoxy-2-methylbenzo[g]chromen-4-one 71695-22-2 COC1=CC2=C(C(O)=C1)C(OC)=C1C(=O)C=C(C)OC1=C2C1=C(OC)C=C2C=C3OC(C)=CC(=O)C3=C(OC)C2=C1O InChI=1S/C32H26O10/c1-13-7-18(33)26-22(41-13)10-15-9-21(38-4)28(29(36)23(15)30(26)39-5)25-17-11-16(37-3)12-20(35)24(17)31(40-6)27-19(34)8-14(2)42-32(25)27/h7-12,35-36H,1-6H3 LQQLPCZPXCJFRH-UHFFFAOYSA-N belongs to the class of organic compounds known as naphthopyranones. Naphthopyranones are compounds containing a naphthopyran skeleton where a ring carbon bears a carboxylic acid group. Naphthtopyran is made up of the pyran ring fused to a naphthalene ring system. Naphthopyranones Organic compounds Organoheterocyclic compounds Naphthopyrans Naphthopyranones Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Chromones Heteroaromatic compounds Hydrocarbon derivatives Naphthols and derivatives Organic oxides Oxacyclic compounds Pyranones and derivatives Vinylogous esters 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 1-naphthol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Heteroaromatic compound Hydrocarbon derivative Naphthalene Naphthopyranone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Pyran Pyranone Vinylogous ester logp 4.24 ALOGPS logs -5.24 ALOGPS solubility 3.32e-03 g/l ALOGPS melting_point Mp 198-203° logp 4.16 ChemAxon pka_strongest_acidic 7.77 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 6-hydroxy-10-{6-hydroxy-5,8-dimethoxy-2-methyl-4-oxo-4H-benzo[g]chromen-7-yl}-5,8-dimethoxy-2-methyl-4H-benzo[g]chromen-4-one ChemAxon average_mass 570.5428 ChemAxon mono_mass 570.152597052 ChemAxon smiles COC1=CC2=C(C(O)=C1)C(OC)=C1C(=O)C=C(C)OC1=C2C1=C(OC)C=C2C=C3OC(C)=CC(=O)C3=C(OC)C2=C1O ChemAxon formula C32H26O10 ChemAxon inchi InChI=1S/C32H26O10/c1-13-7-18(33)26-22(41-13)10-15-9-21(38-4)28(29(36)23(15)30(26)39-5)25-17-11-16(37-3)12-20(35)24(17)31(40-6)27-19(34)8-14(2)42-32(25)27/h7-12,35-36H,1-6H3 ChemAxon inchikey LQQLPCZPXCJFRH-UHFFFAOYSA-N ChemAxon polar_surface_area 129.98 ChemAxon refractivity 156.01 ChemAxon polarizability 59.19 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 10 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13214 Specdb::CMs 43323 Specdb::CMs 282349 Specdb::CMs 369045 Specdb::CMs 369046 Specdb::CMs 369047 Specdb::CMs 369048 Specdb::CMs 369049 Specdb::MsMs 54999 Specdb::MsMs 55000 Specdb::MsMs 55001 Specdb::MsMs 124509 Specdb::MsMs 124510 Specdb::MsMs 124511 Specdb::MsMs 2378485 Specdb::MsMs 2378486 Specdb::MsMs 2378487 Specdb::MsMs 2557419 Specdb::MsMs 2557420 Specdb::MsMs 2557421 HMDB33489 #<Reference:0x000055ce3249c630>