1.0 2010-04-08 22:13:35 UTC 2019-11-26 03:15:54 UTC FDB018237 Alfalone Isolated from alfalfa callus tissue. Alfalone is found in alfalfa and pulses. 1,8 Dihydroxyanthrone 1,8-dihydroxy-9-anthrane 1,8-Dihydroxy-9-anthrone 1,8-Dihydroxy-9(10H)-anthracenone 1,8-Dihydroxyanthracen-9(10H)-one 1,8-Dihydroxyanthrone 1,8,9-Anthracenetriol 6-Hydroxy-4',7-dimethoxyisoflavone 6-Hydroxy-7,4'-dimethoxyisoflavone 9(10H)-Anthracenone, 1,8-dihydroxy- 9(10H)-Anthracenone, 1,8-dihydroxy- (9CI) Alfalone Anthra-derm Anthraderm Anthraderm (TN) Anthralin Anthralin (usp) Anthraline Anthrone, 1,8-dihydroxy- Batridol Chrysodermol Cignolin Cigthranol Dithranol Dithranol (inn) Dithranolum Psoriacid-stift C17H14O5 298.2901 298.084123558 6-hydroxy-7-methoxy-3-(4-methoxyphenyl)-4H-chromen-4-one alfalone 970-48-9 COC1=CC=C(C=C1)C1=COC2=CC(OC)=C(O)C=C2C1=O InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-16(21-2)14(18)7-12(15)17(13)19/h3-9,18H,1-2H3 CQULNEWSZBPFNL-UHFFFAOYSA-N belongs to the class of organic compounds known as 7-o-methylisoflavones. These are isoflavones with methoxy groups attached to the C7 atom of the isoflavone backbone. 7-O-methylisoflavones Organic compounds Phenylpropanoids and polyketides Isoflavonoids O-methylated isoflavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 4'-O-methylisoflavones Alkyl aryl ethers Anisoles Chromones Heteroaromatic compounds Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavones Methoxybenzenes Organic oxides Oxacyclic compounds Phenoxy compounds Pyranones and derivatives 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 4p-o-methylisoflavone 7-o-methylisoflavone Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Heteroaromatic compound Hydrocarbon derivative Hydroxyisoflavonoid Isoflavone Methoxybenzene Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol ether Phenoxy compound Pyran Pyranone Isoflavonoids logp 3.51 ALOGPS logs -3.96 ALOGPS solubility 3.27e-02 g/l ALOGPS melting_point Mp 246-247° logp 2.72 ChemAxon pka_strongest_acidic 9.6 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac 6-hydroxy-7-methoxy-3-(4-methoxyphenyl)-4H-chromen-4-one ChemAxon average_mass 298.2901 ChemAxon mono_mass 298.084123558 ChemAxon smiles COC1=CC=C(C=C1)C1=COC2=CC(OC)=C(O)C=C2C1=O ChemAxon formula C17H14O5 ChemAxon inchi InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-16(21-2)14(18)7-12(15)17(13)19/h3-9,18H,1-2H3 ChemAxon inchikey CQULNEWSZBPFNL-UHFFFAOYSA-N ChemAxon polar_surface_area 64.99 ChemAxon refractivity 80.65 ChemAxon polarizability 30.92 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25204 Specdb::CMs 46073 Specdb::CMs 146237 Specdb::MsMs 74745 Specdb::MsMs 74746 Specdb::MsMs 74747 Specdb::MsMs 134217 Specdb::MsMs 134218 Specdb::MsMs 134219 Specdb::MsMs 2792756 Specdb::MsMs 2792757 Specdb::MsMs 2792758 Specdb::MsMs 2916056 Specdb::MsMs 2916057 Specdb::MsMs 2916058 HMDB38811 #<Reference:0x000055ce31a2faf8> #<Reference:0x000055ce31a2f940> #<Reference:0x000055ce31a2f788> Alfalfa Type 1 specific Medicago sativa 3879 Pulses Unknown generic