1.0 2020-05-05 15:49:28 UTC 2020-05-05 18:39:00 UTC BMDB0109665 3,4-Dihydro-2H-1-benzopyran-2-one 1,2-Benzodihydropyrone 2-Hydroxydihydrocinnamic acid lactone 3,4-Dihydro-2H-chromen-2-one Benzodihydropyrone Dihydrocoumarin Hydrocoumarin Melilotic acid lactone Melilotic lactone Melilotin Melilotol O-Hydroxydihydrocinnamic acid lactone O-Hydroxyhydrocinnamic acid delta-lactone 3,4-Dihydrocoumarin 2-Hydroxydihydrocinnamate lactone Melilotate lactone O-Hydroxydihydrocinnamate lactone O-Hydroxyhydrocinnamate delta-lactone O-Hydroxyhydrocinnamate δ-lactone O-Hydroxyhydrocinnamic acid δ-lactone 2-Hydroxyhydrocinnamic lactone 3,4-dihydro-1-Benzopyran-2-one 3,4-dihydro-Coumarin 3,4-Dihydroxycoumarin dihydro-Benzopyranone FEMA 2381 Hydrocinnamic acid, O-hydroxy-, delta-lactone Hydrocoumarin, 8ci Melilotin (coumarin) Melilotin?? O-Hydroxyhydrocinnamic acid lactone C9H8O2 148.1586 148.0524295 3,4-dihydro-2H-1-benzopyran-2-one dihydrocoumarin 119-84-6 O=C1CCC2=CC=CC=C2O1 InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2 VMUXSMXIQBNMGZ-UHFFFAOYSA-N belongs to the class of organic compounds known as 3,4-dihydrocoumarins. These are 3,4-dihydrogenated coumarins. Coumarin is a bicyclic compound that are 1-benzopyran carrying an oxo group at the 2-position. Organic compounds Phenylpropanoids and polyketides 3,4-dihydrocoumarins 3,4-dihydrocoumarins 1-benzopyrans Benzenoids Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds 1-benzopyran 3,4-dihydrocoumarin Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chromane Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Aromatic heteropolycyclic compounds an aromatic compound chromanone logp 1.66 ALOGPS logs -1.82 ALOGPS logp 1.89 ChemAxon pka_strongest_basic -7.2 ChemAxon iupac 3,4-dihydro-2H-1-benzopyran-2-one ChemAxon average_mass 148.1586 ChemAxon mono_mass 148.0524295 ChemAxon smiles O=C1CCC2=CC=CC=C2O1 ChemAxon formula C9H8O2 ChemAxon inchi InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2 ChemAxon inchikey VMUXSMXIQBNMGZ-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 40.46 ChemAxon polarizability 15.09 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 15444 Specdb::CMs 29255 Specdb::CMs 31794 Specdb::CMs 31795 Specdb::CMs 101835 Specdb::CMs 101836 Specdb::CMs 101837 Specdb::CMs 131341 Specdb::CMs 139075 Specdb::EiMs 1831 Specdb::MsMs 8990 Specdb::MsMs 8991 Specdb::MsMs 8992 Specdb::MsMs 15662 Specdb::MsMs 15663 Specdb::MsMs 15664 Specdb::MsMs 445091 Specdb::MsMs 445092 Specdb::MsMs 445093 Specdb::MsMs 2226360 Specdb::MsMs 2231164 Specdb::MsMs 2233010 Specdb::MsMs 2233587 Specdb::MsMs 2235368 Specdb::MsMs 2319419 Specdb::MsMs 2319420 Specdb::MsMs 2319421 Specdb::MsMs 2619623 Specdb::MsMs 2619624 Specdb::MsMs 2619625 Specdb::NmrOneD 3814 Specdb::NmrOneD 4079 Specdb::NmrOneD 136750 Specdb::NmrOneD 136751 Specdb::NmrOneD 136752 Specdb::NmrOneD 136753 Specdb::NmrOneD 136754 Specdb::NmrOneD 136755 Specdb::NmrOneD 136756 Specdb::NmrOneD 136757 Specdb::NmrOneD 136758 Specdb::NmrOneD 136759 Specdb::NmrOneD 136760 Specdb::NmrOneD 136761 Specdb::NmrOneD 136762 Specdb::NmrOneD 136763 Specdb::NmrOneD 136764 Specdb::NmrOneD 136765 Specdb::NmrOneD 136766 Specdb::NmrOneD 136767 Specdb::NmrOneD 136768 Specdb::NmrOneD 136769 Specdb::MsIr 7299 Specdb::MsIr 7300 Liver 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under alfalfa hay based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 C02274 FDB015543 640 660 16151 C00054085 DIHYDROCOUMARIN