1.0 2010-04-08 22:13:20 UTC 2019-11-26 03:15:19 UTC FDB017837 Torachrysone Isolated from seeds of Cassia tora (charota). Torachrysone is found in coffee and coffee products, herbs and spices, and pulses. 1-Nitroso-1-phenyl-urea 2-Acetyl-1,8-dihydroxy-6-methoxy-3-methylnaphthalene N-Nitroso-N-phenyl-urea N-phenyl-n-nitrosourea Nakahalene Nitrosophenylurea Phenyl-nitroso-harnstoff Torachrysone Urea, 1-nitroso-1-phenyl- Urea, 1-nitroso-1-phenyl- (8CI) Urea, n-nitroso-n-phenyl- C14H14O4 246.2586 246.089208936 1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethan-1-one 1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethanone 22649-04-3 COC1=CC(O)=C2C(O)=C(C(C)=O)C(C)=CC2=C1 InChI=1S/C14H14O4/c1-7-4-9-5-10(18-3)6-11(16)13(9)14(17)12(7)8(2)15/h4-6,16-17H,1-3H3 BIJOPUWEMBBDEG-UHFFFAOYSA-N belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position. Naphthols and derivatives Organic compounds Benzenoids Naphthalenes Naphthols and derivatives Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetophenones Alkyl aryl ethers Anisoles Aryl alkyl ketones Hydrocarbon derivatives Organic oxides Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 1-naphthol Acetophenone Alkyl aryl ether Anisole Aromatic homopolycyclic compound Aryl alkyl ketone Aryl ketone Ether Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Vinylogous acid naphthols logp 2.71 ALOGPS logs -3.25 ALOGPS solubility 1.38e-01 g/l ALOGPS melting_point Mp 214-215 dec. (207-208°) logp 2.92 ChemAxon pka_strongest_acidic 8.3 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethan-1-one ChemAxon average_mass 246.2586 ChemAxon mono_mass 246.089208936 ChemAxon smiles COC1=CC(O)=C2C(O)=C(C(C)=O)C(C)=CC2=C1 ChemAxon formula C14H14O4 ChemAxon inchi InChI=1S/C14H14O4/c1-7-4-9-5-10(18-3)6-11(16)13(9)14(17)12(7)8(2)15/h4-6,16-17H,1-3H3 ChemAxon inchikey BIJOPUWEMBBDEG-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 68.38 ChemAxon polarizability 25.8 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 104835 Specdb::MsMs 104836 Specdb::MsMs 104837 Specdb::MsMs 171186 Specdb::MsMs 171187 Specdb::MsMs 171188 Specdb::MsMs 3058480 Specdb::MsMs 3058481 Specdb::MsMs 3058482 Specdb::MsMs 3107819 Specdb::MsMs 3107820 Specdb::MsMs 3107821 Specdb::CMs 10039 Specdb::CMs 45842 Specdb::CMs 171266 HMDB38473 #<Reference:0x000055ce315da5e8> 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