1.0 2010-04-08 22:09:54 UTC 2018-05-28 23:32:29 UTC FDB011917 Fonsecinone B Mycotoxin production by Aspergillus fonsecaeus. Isolated from infected mango fruits. Fonsecinone B C32H28O11 588.5581 588.163161738 2,5-dihydroxy-10-{5-hydroxy-6,8-dimethoxy-2-methyl-4-oxo-4H-benzo[g]chromen-7-yl}-6,8-dimethoxy-2-methyl-2H,3H,4H-naphtho[2,3-b]pyran-4-one 2,5-dihydroxy-10-{5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-7-yl}-6,8-dimethoxy-2-methyl-3H-naphtho[2,3-b]pyran-4-one 95152-76-4 COC1=CC2=C(C(O)=C3C(=O)CC(C)(O)OC3=C2C2=C(OC)C=C3C=C4OC(C)=CC(=O)C4=C(O)C3=C2OC)C(OC)=C1 InChI=1S/C32H28O11/c1-13-7-17(33)25-21(42-13)9-14-8-19(39-4)27(30(41-6)22(14)28(25)35)24-16-10-15(38-3)11-20(40-5)23(16)29(36)26-18(34)12-32(2,37)43-31(24)26/h7-11,35-37H,12H2,1-6H3 AMDZXTMMLFPGSD-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-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Aryl alkyl ketones Benzochromones Hemiacetals Heteroaromatic compounds Hydrocarbon derivatives Naphthols and derivatives Organic oxides Oxacyclic compounds Pyranones and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-4-unsubstituted benzenoid 1-naphthol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzochromone Benzopyran Chromane Chromone Ether Hemiacetal Heteroaromatic compound Hydrocarbon derivative Ketone Naphthalene Naphthopyranone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Pyran Pyranone Vinylogous acid logp 3.57 ALOGPS logs -4.92 ALOGPS solubility 7.09e-03 g/l ALOGPS melting_point Mp 172-173° logp 4.78 ChemAxon pka_strongest_acidic 7.96 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 2,5-dihydroxy-10-{5-hydroxy-6,8-dimethoxy-2-methyl-4-oxo-4H-benzo[g]chromen-7-yl}-6,8-dimethoxy-2-methyl-2H,3H,4H-naphtho[2,3-b]pyran-4-one ChemAxon average_mass 588.5581 ChemAxon mono_mass 588.163161738 ChemAxon smiles COC1=CC2=C(C(O)=C3C(=O)CC(C)(O)OC3=C2C2=C(OC)C=C3C=C4OC(C)=CC(=O)C4=C(O)C3=C2OC)C(OC)=C1 ChemAxon formula C32H28O11 ChemAxon inchi InChI=1S/C32H28O11/c1-13-7-17(33)25-21(42-13)9-14-8-19(39-4)27(30(41-6)22(14)28(25)35)24-16-10-15(38-3)11-20(40-5)23(16)29(36)26-18(34)12-32(2,37)43-31(24)26/h7-11,35-37H,12H2,1-6H3 ChemAxon inchikey AMDZXTMMLFPGSD-UHFFFAOYSA-N ChemAxon polar_surface_area 150.21 ChemAxon refractivity 156.02 ChemAxon polarizability 60.26 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 11 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25931 Specdb::CMs 43490 Specdb::CMs 282811 Specdb::CMs 413132 Specdb::CMs 413133 Specdb::CMs 413134 Specdb::CMs 413135 Specdb::CMs 413136 Specdb::CMs 413137 Specdb::CMs 413138 Specdb::CMs 413139 Specdb::CMs 413140 Specdb::CMs 413141 Specdb::CMs 413142 Specdb::CMs 413143 Specdb::MsMs 93447 Specdb::MsMs 93448 Specdb::MsMs 93449 Specdb::MsMs 157224 Specdb::MsMs 157225 Specdb::MsMs 157226 Specdb::MsMs 2772146 Specdb::MsMs 2772147 Specdb::MsMs 2772148 Specdb::MsMs 2910515 Specdb::MsMs 2910516 Specdb::MsMs 2910517 HMDB33768 #<Reference:0x000055ce316ef0f0>