1.0 2010-04-08 22:05:09 UTC 2025-11-18 22:33:37 UTC FDB001910 Celerin Constituent of seeds of Apium graveolens (celery). Celerin is found in wild celery and green vegetables. 4-(1,1-Dimethyl-2-propenyl)-8-hydroxy-7-methoxy-2H-1-benzopyran-2-one C15H16O4 260.2851 260.104859 8-hydroxy-7-methoxy-5-(2-methylbut-3-en-2-yl)-2H-chromen-2-one 8-hydroxy-7-methoxy-5-(2-methylbut-3-en-2-yl)chromen-2-one 73815-20-0 COC1=C(O)C2=C(C=CC(=O)O2)C(=C1)C(C)(C)C=C InChI=1S/C15H16O4/c1-5-15(2,3)10-8-11(18-4)13(17)14-9(10)6-7-12(16)19-14/h5-8,17H,1H2,2-4H3 KATNIMBVOAPAGX-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the coumarin skeleton. 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 Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Ether Heteroaromatic compound Hydrocarbon derivative Hydroxycoumarin Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone logp 3.70 ALOGPS logs -3.54 ALOGPS solubility 7.44e-02 g/l ALOGPS melting_point Mp 158-159.5° logp 3.66 ChemAxon pka_strongest_acidic 10.69 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 8-hydroxy-7-methoxy-5-(2-methylbut-3-en-2-yl)-2H-chromen-2-one ChemAxon average_mass 260.2851 ChemAxon mono_mass 260.104859 ChemAxon smiles COC1=C(O)C2=C(C=CC(=O)O2)C(=C1)C(C)(C)C=C ChemAxon formula C15H16O4 ChemAxon inchi InChI=1S/C15H16O4/c1-5-15(2,3)10-8-11(18-4)13(17)14-9(10)6-7-12(16)19-14/h5-8,17H,1H2,2-4H3 ChemAxon inchikey KATNIMBVOAPAGX-UHFFFAOYSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 73.3 ChemAxon polarizability 27.28 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23855 Specdb::CMs 41757 Specdb::CMs 131258 Specdb::CMs 138992 Specdb::MsMs 88368 Specdb::MsMs 88369 Specdb::MsMs 88370 Specdb::MsMs 151077 Specdb::MsMs 151078 Specdb::MsMs 151079 Specdb::MsMs 2350729 Specdb::MsMs 2350730 Specdb::MsMs 2350731 Specdb::MsMs 2588461 Specdb::MsMs 2588462 Specdb::MsMs 2588463 HMDB30110 Green vegetables Unknown generic Wild celery Type 1 specific Apium graveolens 4045