1.0 2012-01-13 17:26:36 UTC 2025-11-19 02:59:52 UTC FDB029949 Stevenin A polyphenol metabolite detected in biological fluids [PhenolExplorer] C16H12O5 284.2635 284.068473494 6-hydroxy-4-(3-hydroxyphenyl)-7-methoxy-2H-chromen-2-one stevenin COC1=C(O)C=C2C(OC(=O)C=C2C2=CC(O)=CC=C2)=C1 InChI=1S/C16H12O5/c1-20-15-8-14-12(6-13(15)18)11(7-16(19)21-14)9-3-2-4-10(17)5-9/h2-8,17-18H,1H3 MYVNFPJTNYAPDH-UHFFFAOYSA-N belongs to the class of organic compounds known as neoflavones. These are neoflavonoids with a structure based on the 4-phenylcoumarin skeleton. Neoflavones Organic compounds Phenylpropanoids and polyketides Neoflavonoids Neoflavones Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Benzene and substituted derivatives Heteroaromatic compounds Hydrocarbon derivatives Hydroxycoumarins Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4-phenylcoumarin Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Coumarin Ether Heteroaromatic compound Hydrocarbon derivative Hydroxycoumarin Lactone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Pyran Pyranone Neoflavonoids logp 2.86 ALOGPS logs -3.75 ALOGPS solubility 5.06e-02 g/l ALOGPS logp 2.45 ChemAxon pka_strongest_acidic 9.17 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 6-hydroxy-4-(3-hydroxyphenyl)-7-methoxy-2H-chromen-2-one ChemAxon average_mass 284.2635 ChemAxon mono_mass 284.068473494 ChemAxon smiles COC1=C(O)C=C2C(OC(=O)C=C2C2=CC(O)=CC=C2)=C1 ChemAxon formula C16H12O5 ChemAxon inchi InChI=1S/C16H12O5/c1-20-15-8-14-12(6-13(15)18)11(7-16(19)21-14)9-3-2-4-10(17)5-9/h2-8,17-18H,1H3 ChemAxon inchikey MYVNFPJTNYAPDH-UHFFFAOYSA-N ChemAxon polar_surface_area 75.99 ChemAxon refractivity 85.53 ChemAxon polarizability 28.4 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20841 Specdb::CMs 47547 Specdb::CMs 153690 Specdb::MsMs 312418 Specdb::MsMs 312419 Specdb::MsMs 312420 Specdb::MsMs 357676 Specdb::MsMs 357677 Specdb::MsMs 357678 Specdb::MsMs 2388761 Specdb::MsMs 2388762 Specdb::MsMs 2388763 Specdb::MsMs 2574409 Specdb::MsMs 2574410 Specdb::MsMs 2574411 HMDB41776