1.0 2010-04-08 22:10:09 UTC 2019-11-26 03:06:43 UTC FDB012404 Osthenol Isolated from seeds of Apium graveolens. Osthenol is found in many foods, some of which are green vegetables, wild celery, fennel, and angelica. 2H-1-Benzopyran-2-one, 7-hydroxy-8-(3-methyl-2-butenyl)- 7-Hydroxy-8-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one 7-Hydroxy-8-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one, 9CI 7-Hydroxy-8-prenylcoumarin C14H14O3 230.2592 230.094294314 7-hydroxy-8-(3-methylbut-2-en-1-yl)-2H-chromen-2-one 7-hydroxy-8-(3-methylbut-2-en-1-yl)chromen-2-one 484-14-0 CC(C)=CCC1=C(O)C=CC2=C1OC(=O)C=C2 InChI=1S/C14H14O3/c1-9(2)3-6-11-12(15)7-4-10-5-8-13(16)17-14(10)11/h3-5,7-8,15H,6H2,1-2H3 RAKJVIPCCGXHHS-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 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Organooxygen compounds Oxacyclic compounds Pyranones and derivatives 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 7-hydroxycoumarin Aromatic heteropolycyclic compound Benzenoid Benzopyran Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone a small molecule hydroxycoumarin logp 3.24 ALOGPS logs -3.63 ALOGPS solubility 5.37e-02 g/l ALOGPS melting_point Mp 124-125° logp 3.21 ChemAxon pka_strongest_acidic 7.64 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac 7-hydroxy-8-(3-methylbut-2-en-1-yl)-2H-chromen-2-one ChemAxon average_mass 230.2592 ChemAxon mono_mass 230.094294314 ChemAxon smiles CC(C)=CCC1=C(O)C=CC2=C1OC(=O)C=C2 ChemAxon formula C14H14O3 ChemAxon inchi InChI=1S/C14H14O3/c1-9(2)3-6-11-12(15)7-4-10-5-8-13(16)17-14(10)11/h3-5,7-8,15H,6H2,1-2H3 ChemAxon inchikey RAKJVIPCCGXHHS-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 67.77 ChemAxon polarizability 24.63 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 43524 Specdb::MsMs 43525 Specdb::MsMs 43526 Specdb::MsMs 149352 Specdb::MsMs 149353 Specdb::MsMs 149354 Specdb::MsMs 452189 Specdb::MsMs 2780695 Specdb::MsMs 2780696 Specdb::MsMs 2780697 Specdb::MsMs 2924320 Specdb::MsMs 2924321 Specdb::MsMs 2924322 Specdb::CMs 11106 Specdb::CMs 43727 Specdb::CMs 137055 Specdb::CMs 144789 HMDB34130 #<Reference:0x000055ce3210fe90> Angelica Type 1 specific Angelica keiskei 357850 Fennel Type 1 specific Foeniculum vulgare 48038 Green vegetables Unknown generic Wild celery Type 1 specific Apium graveolens 4045