1.0 2010-04-08 22:05:23 UTC 2020-02-24 19:10:31 UTC FDB002469 Apigravin Isolated from Apium graveolens. Apigravin is found in wild celery and green vegetables. 7-Hydroxy-8-methoxy-6-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one 7-Hydroxy-8-methoxy-6-prenylcoumarin Apigravin C15H16O4 260.2851 260.104859 7-hydroxy-8-methoxy-6-(3-methylbut-2-en-1-yl)-2H-chromen-2-one 7-hydroxy-8-methoxy-6-(3-methylbut-2-en-1-yl)chromen-2-one 72963-64-5 COC1=C(O)C(CC=C(C)C)=CC2=C1OC(=O)C=C2 InChI=1S/C15H16O4/c1-9(2)4-5-10-8-11-6-7-12(16)19-14(11)15(18-3)13(10)17/h4,6-8,17H,5H2,1-3H3 NYTURSQQJRVHPG-UHFFFAOYSA-N belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton. 7-hydroxycoumarins Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Hydroxycoumarins Aromatic heteropolycyclic compounds 1-benzopyrans Alkyl aryl ethers Anisoles Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives 1-benzopyran 7-hydroxycoumarin Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Ether Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone logp 2.91 ALOGPS logs -3.82 ALOGPS solubility 3.92e-02 g/l ALOGPS melting_point Mp 167-169° logp 3.05 ChemAxon pka_strongest_acidic 8.2 ChemAxon pka_strongest_basic -5 ChemAxon iupac 7-hydroxy-8-methoxy-6-(3-methylbut-2-en-1-yl)-2H-chromen-2-one ChemAxon average_mass 260.2851 ChemAxon mono_mass 260.104859 ChemAxon smiles COC1=C(O)C(CC=C(C)C)=CC2=C1OC(=O)C=C2 ChemAxon formula C15H16O4 ChemAxon inchi InChI=1S/C15H16O4/c1-9(2)4-5-10-8-11-6-7-12(16)19-14(11)15(18-3)13(10)17/h4,6-8,17H,5H2,1-3H3 ChemAxon inchikey NYTURSQQJRVHPG-UHFFFAOYSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 74.24 ChemAxon polarizability 27.79 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13790 Specdb::CMs 42008 Specdb::CMs 131269 Specdb::CMs 139003 Specdb::MsMs 55023 Specdb::MsMs 55024 Specdb::MsMs 55025 Specdb::MsMs 148254 Specdb::MsMs 148255 Specdb::MsMs 148256 Specdb::MsMs 2839026 Specdb::MsMs 2839027 Specdb::MsMs 2839028 Specdb::MsMs 2870162 Specdb::MsMs 2870163 Specdb::MsMs 2870164 HMDB30578 #<Reference:0x00007f093c14a2e8> Green vegetables Unknown generic Wild celery Type 1 specific Apium graveolens 4045