1.0 2010-04-08 22:09:42 UTC 2018-05-28 22:27:51 UTC FDB011548 Nigerone Production by Aspergillus niger. Mycotoxin. 5,5'-Dihydroxy-6,6',8,8'-tetramethoxy-2,2'-dimethyl[10,10'-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-10-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-10-yl}-6,8-dimethoxy-2-methylbenzo[g]chromen-4-one 76069-41-5 COC1=CC2=C(C(O)=C3C(=O)C=C(C)OC3=C2C2=C3OC(C)=CC(=O)C3=C(O)C3=C2C=C(OC)C=C3OC)C(OC)=C1 InChI=1S/C32H26O10/c1-13-7-19(33)27-29(35)23-17(9-15(37-3)11-21(23)39-5)25(31(27)41-13)26-18-10-16(38-4)12-22(40-6)24(18)30(36)28-20(34)8-14(2)42-32(26)28/h7-12,35-36H,1-6H3 MBDIPBHBEVOYQB-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 Alkyl aryl ethers Anisoles Biphenols Chromones Heteroaromatic compounds Hydrocarbon derivatives Naphthols and derivatives Organic oxides Oxacyclic compounds Pyranones and derivatives Vinylogous acids 1-benzopyran 1-naphthol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Biphenol Chromone Ether Heteroaromatic compound Hydrocarbon derivative Naphthalene Naphthopyranone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Pyran Pyranone Vinylogous acid logp 4.24 ALOGPS logs -5.11 ALOGPS solubility 4.39e-03 g/l ALOGPS melting_point Mp 330° logp 5.46 ChemAxon pka_strongest_acidic 7.65 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 5-hydroxy-10-{5-hydroxy-6,8-dimethoxy-2-methyl-4-oxo-4H-benzo[g]chromen-10-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(C(O)=C3C(=O)C=C(C)OC3=C2C2=C3OC(C)=CC(=O)C3=C(O)C3=C2C=C(OC)C=C3OC)C(OC)=C1 ChemAxon formula C32H26O10 ChemAxon inchi InChI=1S/C32H26O10/c1-13-7-19(33)27-29(35)23-17(9-15(37-3)11-21(23)39-5)25(31(27)41-13)26-18-10-16(38-4)12-22(40-6)24(18)30(36)28-20(34)8-14(2)42-32(26)28/h7-12,35-36H,1-6H3 ChemAxon inchikey MBDIPBHBEVOYQB-UHFFFAOYSA-N ChemAxon polar_surface_area 129.98 ChemAxon refractivity 156.01 ChemAxon polarizability 58.43 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 10 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16858 Specdb::CMs 43325 Specdb::CMs 282350 Specdb::CMs 369050 Specdb::CMs 369051 Specdb::CMs 369052 Specdb::NmrOneD 341548 Specdb::NmrOneD 341549 Specdb::NmrOneD 341550 Specdb::NmrOneD 341551 Specdb::NmrOneD 341552 Specdb::NmrOneD 341553 Specdb::NmrOneD 341554 Specdb::NmrOneD 341555 Specdb::NmrOneD 341556 Specdb::NmrOneD 341557 Specdb::NmrOneD 341558 Specdb::NmrOneD 341559 Specdb::NmrOneD 341560 Specdb::NmrOneD 341561 Specdb::NmrOneD 341562 Specdb::NmrOneD 341563 Specdb::NmrOneD 341564 Specdb::NmrOneD 341565 Specdb::NmrOneD 341566 Specdb::NmrOneD 341567 Specdb::MsMs 12791 Specdb::MsMs 12792 Specdb::MsMs 12793 Specdb::MsMs 19463 Specdb::MsMs 19464 Specdb::MsMs 19465 Specdb::MsMs 2838228 Specdb::MsMs 2838229 Specdb::MsMs 2838230 Specdb::MsMs 2867358 Specdb::MsMs 2867359 Specdb::MsMs 2867360 HMDB33496 #<Reference:0x000055ce327e0da0>