1.0 2010-04-08 22:12:40 UTC 2018-05-29 01:28:25 UTC FDB016813 7-Hydroxy-5-methoxyflavan Isolated from the pith of sago palm (2S)-5-Methoxy flavan-7-ol 2H-1-Benzopyran-7-ol, 3,4-dihydro-5-methoxy-2-phenyl- 3,4-dihydro-5-Methoxy-2-phenyl-2H-1-benzopyran-7-ol 7-Hydroxy-5-methoxyflavan C16H16O3 256.2964 256.109944378 5-methoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-7-ol 5-methoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-7-ol 35290-20-1 COC1=C2CCC(OC2=CC(O)=C1)C1=CC=CC=C1 InChI=1S/C16H16O3/c1-18-15-9-12(17)10-16-13(15)7-8-14(19-16)11-5-3-2-4-6-11/h2-6,9-10,14,17H,7-8H2,1H3 UNCVBXFEZHBZKN-UHFFFAOYSA-N belongs to the class of organic compounds known as 5-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C5 atom of the flavonoid backbone. 5-O-methylated flavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 7-hydroxyflavonoids Alkyl aryl ethers Anisoles Benzene and substituted derivatives Flavans Hydrocarbon derivatives Oxacyclic compounds 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 5-methoxyflavonoid-skeleton 7-hydroxyflavonoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromane Ether Flavan Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle logp 3.47 ALOGPS logs -4.02 ALOGPS solubility 2.47e-02 g/l ALOGPS melting_point Mp 96-97° (85-87°) logp 3.62 ChemAxon pka_strongest_acidic 9.85 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 5-methoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-7-ol ChemAxon average_mass 256.2964 ChemAxon mono_mass 256.109944378 ChemAxon smiles COC1=C2CCC(OC2=CC(O)=C1)C1=CC=CC=C1 ChemAxon formula C16H16O3 ChemAxon inchi InChI=1S/C16H16O3/c1-18-15-9-12(17)10-16-13(15)7-8-14(19-16)11-5-3-2-4-6-11/h2-6,9-10,14,17H,7-8H2,1H3 ChemAxon inchikey UNCVBXFEZHBZKN-UHFFFAOYSA-N ChemAxon polar_surface_area 38.69 ChemAxon refractivity 73.16 ChemAxon polarizability 28.22 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11136 Specdb::CMs 45514 Specdb::CMs 146091 Specdb::MsMs 72264 Specdb::MsMs 72265 Specdb::MsMs 72266 Specdb::MsMs 131115 Specdb::MsMs 131116 Specdb::MsMs 131117 Specdb::MsMs 2690672 Specdb::MsMs 2690673 Specdb::MsMs 2690674 Specdb::MsMs 2988374 Specdb::MsMs 2988375 Specdb::MsMs 2988376 HMDB37686 #<Reference:0x000055ce317933d0>