1.0 2010-04-08 22:10:08 UTC 2018-05-28 23:36:08 UTC FDB012364 Dianhydroaurasperone C Production by Aspergillus niger. Dianhydro-aurasperone C Dianhydroaurasperone C C31H24O10 556.5163 556.136946988 10-{5,8-dihydroxy-6-methoxy-2-methyl-4-oxo-4H-benzo[g]chromen-7-yl}-5-hydroxy-6,8-dimethoxy-2-methyl-4H-benzo[g]chromen-4-one 10-{5,8-dihydroxy-6-methoxy-2-methyl-4-oxobenzo[g]chromen-7-yl}-5-hydroxy-6,8-dimethoxy-2-methylbenzo[g]chromen-4-one 92280-05-2 COC1=CC2=C(C(O)=C3C(=O)C=C(C)OC3=C2C2=C(O)C=C3C=C4OC(C)=CC(=O)C4=C(O)C3=C2OC)C(OC)=C1 InChI=1S/C31H24O10/c1-12-6-17(32)25-21(40-12)9-14-8-19(34)26(30(39-5)22(14)28(25)35)24-16-10-15(37-3)11-20(38-4)23(16)29(36)27-18(33)7-13(2)41-31(24)27/h6-11,34-36H,1-5H3 NIYWIZVIKTZNQP-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 2-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 4.27 ALOGPS logs -5.08 ALOGPS solubility 4.64e-03 g/l ALOGPS logp 5.31 ChemAxon pka_strongest_acidic 7.55 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 10-{5,8-dihydroxy-6-methoxy-2-methyl-4-oxo-4H-benzo[g]chromen-7-yl}-5-hydroxy-6,8-dimethoxy-2-methyl-4H-benzo[g]chromen-4-one ChemAxon average_mass 556.5163 ChemAxon mono_mass 556.136946988 ChemAxon smiles COC1=CC2=C(C(O)=C3C(=O)C=C(C)OC3=C2C2=C(O)C=C3C=C4OC(C)=CC(=O)C4=C(O)C3=C2OC)C(OC)=C1 ChemAxon formula C31H24O10 ChemAxon inchi InChI=1S/C31H24O10/c1-12-6-17(32)25-21(40-12)9-14-8-19(34)26(30(39-5)22(14)28(25)35)24-16-10-15(37-3)11-20(38-4)23(16)29(36)27-18(33)7-13(2)41-31(24)27/h6-11,34-36H,1-5H3 ChemAxon inchikey NIYWIZVIKTZNQP-UHFFFAOYSA-N ChemAxon polar_surface_area 140.98 ChemAxon refractivity 151.53 ChemAxon polarizability 57.27 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 10 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24307 Specdb::CMs 43708 Specdb::CMs 281937 Specdb::CMs 340398 Specdb::CMs 340399 Specdb::CMs 340400 Specdb::CMs 340401 Specdb::CMs 340402 Specdb::CMs 340403 Specdb::CMs 340404 Specdb::CMs 340405 Specdb::CMs 340406 Specdb::CMs 340407 Specdb::CMs 340408 Specdb::CMs 340409 Specdb::CMs 340410 Specdb::MsMs 103767 Specdb::MsMs 103768 Specdb::MsMs 103769 Specdb::MsMs 169890 Specdb::MsMs 169891 Specdb::MsMs 169892 Specdb::MsMs 2775197 Specdb::MsMs 2775198 Specdb::MsMs 2775199 Specdb::MsMs 2907069 Specdb::MsMs 2907070 Specdb::MsMs 2907071 HMDB34100 #<Reference:0x000055ce31d20dc0>