1.0 2010-04-08 22:10:00 UTC 2019-11-26 03:06:12 UTC FDB012109 Norrubrofusarin Isolated from seeds of Cassia tora (charota). Norrubrofusarin is found in coffee and coffee products, herbs and spices, and pulses. 5,6,8-Trihydroxy-2-methylbenzo[g]chromen-4-one Nor-rubrofusarin Norrubrofusarin C14H10O5 258.2262 258.05282343 5,6,8-trihydroxy-2-methyl-4H-benzo[g]chromen-4-one 5,6,8-trihydroxy-2-methylbenzo[g]chromen-4-one 3566-98-1 CC1=CC(=O)C2=C(O)C3=C(O)C=C(O)C=C3C=C2O1 InChI=1S/C14H10O5/c1-6-2-9(16)13-11(19-6)4-7-3-8(15)5-10(17)12(7)14(13)18/h2-5,15,17-18H,1H3 RVRLLYKHCMHGKV-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 Chromones Heteroaromatic compounds Hydrocarbon derivatives Naphthols and derivatives Organic oxides Oxacyclic compounds Polyols Pyranones and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 1-naphthol 2-naphthol Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Heteroaromatic compound Hydrocarbon derivative Naphthalene Naphthopyranone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Polyol Pyran Pyranone Vinylogous acid organic heterotricyclic compound organooxygen compound logp 2.65 ALOGPS logs -2.97 ALOGPS solubility 2.74e-01 g/l ALOGPS melting_point Mp 298-299° dec. logp 2.6 ChemAxon pka_strongest_acidic 7.84 ChemAxon pka_strongest_basic -5.3 ChemAxon iupac 5,6,8-trihydroxy-2-methyl-4H-benzo[g]chromen-4-one ChemAxon average_mass 258.2262 ChemAxon mono_mass 258.05282343 ChemAxon smiles CC1=CC(=O)C2=C(O)C3=C(O)C=C(O)C=C3C=C2O1 ChemAxon formula C14H10O5 ChemAxon inchi InChI=1S/C14H10O5/c1-6-2-9(16)13-11(19-6)4-7-3-8(15)5-10(17)12(7)14(13)18/h2-5,15,17-18H,1H3 ChemAxon inchikey RVRLLYKHCMHGKV-UHFFFAOYSA-N ChemAxon polar_surface_area 86.99 ChemAxon refractivity 69.5 ChemAxon polarizability 25.41 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10828 Specdb::CMs 43577 Specdb::CMs 150469 Specdb::MsMs 11084 Specdb::MsMs 11085 Specdb::MsMs 11086 Specdb::MsMs 17756 Specdb::MsMs 17757 Specdb::MsMs 17758 Specdb::MsMs 2320610 Specdb::MsMs 2320611 Specdb::MsMs 2320612 Specdb::MsMs 2618927 Specdb::MsMs 2618928 Specdb::MsMs 2618929 HMDB33911 #<Reference:0x000055ce325a4e10> Arabica coffee Type 1 specific Coffea arabica 13443 Coffee and coffee products Unknown generic Herbs and Spices Unknown generic Pulses Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390