1.0 2010-04-08 22:10:00 UTC 2018-05-28 23:34:09 UTC FDB012130 Aurasperone A Metabolite of Aspergillus niger, Aspergillus awamori and Aspergillus fonsecaeus. Isolated from Aspergillus niger infected mango fruits. 5,5'-Dihydroxy-6,6',8,8'-tetramethoxy-2,2'-dimethyl-7,10'-bi-4H-naphtho[2,3-b]pyran-4,4'-dione, 9CI C32H26O10 570.5428 570.152597052 5-hydroxy-10-{5-hydroxy-6,8-dimethoxy-2-methyl-4-oxo-4H-benzo[g]chromen-7-yl}-6,8-dimethoxy-2-methyl-4H-benzo[g]chromen-4-one 5-hydroxy-10-{5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-7-yl}-6,8-dimethoxy-2-methylbenzo[g]chromen-4-one 15085-74-2 COC1=CC2=C(C3=C(C(=O)C=C(C)O3)C(O)=C2C(OC)=C1)C1=C(OC)C2=C(C=C1OC)C=C1OC(C)=CC(=O)C1=C2O InChI=1S/C32H26O10/c1-13-7-18(33)26-22(41-13)10-15-9-20(38-4)28(31(40-6)23(15)29(26)35)25-17-11-16(37-3)12-21(39-5)24(17)30(36)27-19(34)8-14(2)42-32(25)27/h7-12,35-36H,1-6H3 QAHRSPAZSGMZMT-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 Chromones 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 Benzenoid Benzopyran Chromone Ether Heteroaromatic compound Hydrocarbon derivative Naphthalene Naphthopyranone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Pyran Pyranone Vinylogous acid logp 4.26 ALOGPS logs -5.20 ALOGPS solubility 3.64e-03 g/l ALOGPS melting_point Mp 207° (prisms), 290-291° (270°) (needles) logp 5.46 ChemAxon pka_strongest_acidic 7.61 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 5-hydroxy-10-{5-hydroxy-6,8-dimethoxy-2-methyl-4-oxo-4H-benzo[g]chromen-7-yl}-6,8-dimethoxy-2-methyl-4H-benzo[g]chromen-4-one ChemAxon average_mass 570.5428 ChemAxon mono_mass 570.152597052 ChemAxon smiles COC1=CC2=C(C3=C(C(=O)C=C(C)O3)C(O)=C2C(OC)=C1)C1=C(OC)C2=C(C=C1OC)C=C1OC(C)=CC(=O)C1=C2O ChemAxon formula C32H26O10 ChemAxon inchi InChI=1S/C32H26O10/c1-13-7-18(33)26-22(41-13)10-15-9-20(38-4)28(31(40-6)23(15)29(26)35)25-17-11-16(37-3)12-21(39-5)24(17)30(36)27-19(34)8-14(2)42-32(25)27/h7-12,35-36H,1-6H3 ChemAxon inchikey QAHRSPAZSGMZMT-UHFFFAOYSA-N ChemAxon polar_surface_area 129.98 ChemAxon refractivity 156.01 ChemAxon polarizability 59.17 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 10 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 100284 Specdb::MsMs 100285 Specdb::MsMs 100286 Specdb::MsMs 165567 Specdb::MsMs 165568 Specdb::MsMs 165569 Specdb::MsMs 2437381 Specdb::MsMs 2437382 Specdb::MsMs 2437383 Specdb::MsMs 2529060 Specdb::MsMs 2529061 Specdb::MsMs 2529062 Specdb::CMs 14141 Specdb::CMs 43590 Specdb::CMs 282352 Specdb::CMs 369058 Specdb::CMs 369059 Specdb::CMs 369060 Specdb::CMs 369061 Specdb::CMs 369062 Specdb::NmrOneD 302745 Specdb::NmrOneD 302746 Specdb::NmrOneD 302747 Specdb::NmrOneD 302748 Specdb::NmrOneD 302749 Specdb::NmrOneD 302750 Specdb::NmrOneD 302751 Specdb::NmrOneD 302752 Specdb::NmrOneD 302753 Specdb::NmrOneD 302754 Specdb::NmrOneD 302755 Specdb::NmrOneD 302756 Specdb::NmrOneD 302757 Specdb::NmrOneD 302758 Specdb::NmrOneD 302759 Specdb::NmrOneD 302760 Specdb::NmrOneD 302761 Specdb::NmrOneD 302762 Specdb::NmrOneD 302763 Specdb::NmrOneD 302764 HMDB33929 #<Reference:0x000055ce3105e9e8>