1.0 2010-04-08 22:09:42 UTC 2019-11-26 03:05:03 UTC FDB011535 Aurasperone D Mycotoxin from Aspergillus niger infected mango fruits. Aurasperone D is found in mango. Aurasperone D C31H24O10 556.5163 556.136946988 5,6-dihydroxy-10-{5-hydroxy-6,8-dimethoxy-2-methyl-4-oxo-4H-benzo[g]chromen-7-yl}-8-methoxy-2-methyl-4H-benzo[g]chromen-4-one aurasperone D 67924-64-5 COC1=CC2=C(C3=C(C(=O)C=C(C)O3)C(O)=C2C(O)=C1)C1=C(OC)C2=C(O)C3=C(OC(C)=CC3=O)C=C2C=C1OC InChI=1S/C31H24O10/c1-12-6-17(32)25-21(40-12)9-14-8-20(38-4)27(30(39-5)22(14)28(25)35)24-16-10-15(37-3)11-19(34)23(16)29(36)26-18(33)7-13(2)41-31(24)26/h6-11,34-36H,1-5H3 DVSATZLPJVYIRI-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 acids 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 acid Naphthopyrones organic heterotricyclic compound organooxygen compound logp 4.28 ALOGPS logs -5.09 ALOGPS solubility 4.54e-03 g/l ALOGPS melting_point Mp 115° logp 5.31 ChemAxon pka_strongest_acidic 6.42 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 5,6-dihydroxy-10-{5-hydroxy-6,8-dimethoxy-2-methyl-4-oxo-4H-benzo[g]chromen-7-yl}-8-methoxy-2-methyl-4H-benzo[g]chromen-4-one ChemAxon average_mass 556.5163 ChemAxon mono_mass 556.136946988 ChemAxon smiles COC1=CC2=C(C3=C(C(=O)C=C(C)O3)C(O)=C2C(O)=C1)C1=C(OC)C2=C(O)C3=C(OC(C)=CC3=O)C=C2C=C1OC ChemAxon formula C31H24O10 ChemAxon inchi InChI=1S/C31H24O10/c1-12-6-17(32)25-21(40-12)9-14-8-20(38-4)27(30(39-5)22(14)28(25)35)24-16-10-15(37-3)11-19(34)23(16)29(36)26-18(33)7-13(2)41-31(24)26/h6-11,34-36H,1-5H3 ChemAxon inchikey DVSATZLPJVYIRI-UHFFFAOYSA-N ChemAxon polar_surface_area 140.98 ChemAxon refractivity 151.53 ChemAxon polarizability 57.05 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 10 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20286 Specdb::CMs 43322 Specdb::CMs 281935 Specdb::CMs 340372 Specdb::CMs 340373 Specdb::CMs 340374 Specdb::CMs 340375 Specdb::CMs 340376 Specdb::CMs 340377 Specdb::CMs 340378 Specdb::CMs 340379 Specdb::CMs 340380 Specdb::CMs 340381 Specdb::CMs 340382 Specdb::CMs 340383 Specdb::CMs 340384 Specdb::MsMs 99612 Specdb::MsMs 99613 Specdb::MsMs 99614 Specdb::MsMs 164775 Specdb::MsMs 164776 Specdb::MsMs 164777 Specdb::MsMs 3048632 Specdb::MsMs 3048633 Specdb::MsMs 3048634 Specdb::MsMs 3118501 Specdb::MsMs 3118502 Specdb::MsMs 3118503 HMDB33488 #<Reference:0x000055ce32105300> Mango Type 1 specific Mangifera indica 29780