1.0 2010-04-08 22:04:39 UTC 2020-02-24 19:10:10 UTC FDB000628 Trigoforin Constituent of Trigonella foenum-graecum (fenugreek). Trigoforin is found in herbs and spices and fenugreek. 3,4,7-Trimethylcoumarin Trigoforin C12H12O2 188.2225 188.083729628 3,4,7-trimethyl-2H-chromen-2-one 3,4,7-trimethylchromen-2-one 14002-93-8 CC1=CC2=C(C=C1)C(C)=C(C)C(=O)O2 InChI=1S/C12H12O2/c1-7-4-5-10-8(2)9(3)12(13)14-11(10)6-7/h4-6H,1-3H3 KAFSSZHADPCOBG-UHFFFAOYSA-N belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). Coumarins and derivatives Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Aromatic heteropolycyclic compounds 1-benzopyrans Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Organooxygen compounds Oxacyclic compounds Pyranones and derivatives 1-benzopyran Aromatic heteropolycyclic compound Benzenoid Benzopyran Coumarin Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone logp 2.85 ALOGPS logs -2.80 ALOGPS solubility 2.99e-01 g/l ALOGPS melting_point Mp 112-113° logp 2.99 ChemAxon pka_strongest_basic -7 ChemAxon iupac 3,4,7-trimethyl-2H-chromen-2-one ChemAxon average_mass 188.2225 ChemAxon mono_mass 188.083729628 ChemAxon smiles CC1=CC2=C(C=C1)C(C)=C(C)C(=O)O2 ChemAxon formula C12H12O2 ChemAxon inchi InChI=1S/C12H12O2/c1-7-4-5-10-8(2)9(3)12(13)14-11(10)6-7/h4-6H,1-3H3 ChemAxon inchikey KAFSSZHADPCOBG-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 55.23 ChemAxon polarizability 20.74 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 3461 Specdb::MsIr 3462 Specdb::CMs 15571 Specdb::CMs 136320 Specdb::CMs 144054 Specdb::MsMs 97263 Specdb::MsMs 97264 Specdb::MsMs 97265 Specdb::MsMs 161949 Specdb::MsMs 161950 Specdb::MsMs 161951 Specdb::MsMs 2319686 Specdb::MsMs 2319687 Specdb::MsMs 2319688 Specdb::MsMs 2619743 Specdb::MsMs 2619744 Specdb::MsMs 2619745 HMDB29495 #<Reference:0x000055ce32023b08> Fenugreek Type 1 specific Trigonella foenum-graecum 78534 Herbs and Spices Unknown generic