1.0 2010-04-08 22:12:20 UTC 2018-05-29 01:25:23 UTC FDB016254 Sylpin Isolated from Pinus sylvestris (Scotch pine) 4',5,6-Trihydroxy-3-methoxy-8-methylflavone Silpin Sylpin C17H14O6 314.2895 314.07903818 5,6-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-8-methyl-4H-chromen-4-one sylpin 65501-41-9 COC1=C(OC2=C(C(O)=C(O)C=C2C)C1=O)C1=CC=C(O)C=C1 InChI=1S/C17H14O6/c1-8-7-11(19)13(20)12-14(21)17(22-2)16(23-15(8)12)9-3-5-10(18)6-4-9/h3-7,18-20H,1-2H3 BUWDKAOCACVEON-UHFFFAOYSA-N belongs to the class of organic compounds known as 3-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C3 atom of the flavonoid backbone. 3-O-methylated flavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 3-methoxychromones 4'-hydroxyflavonoids 5-hydroxyflavonoids 6-hydroxyflavonoids Alkyl aryl ethers Benzene and substituted derivatives Flavones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Pyranones and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 3-methoxychromone 3-methoxyflavonoid-skeleton 4'-hydroxyflavonoid 5-hydroxyflavonoid 6-hydroxyflavonoid Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Flavone Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Pyran Pyranone Vinylogous acid Flavones and Flavonols logp 3.27 ALOGPS logs -3.84 ALOGPS solubility 4.58e-02 g/l ALOGPS melting_point Mp 301-303° logp 3.09 ChemAxon pka_strongest_acidic 8.38 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 5,6-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-8-methyl-4H-chromen-4-one ChemAxon average_mass 314.2895 ChemAxon mono_mass 314.07903818 ChemAxon smiles COC1=C(OC2=C(C(O)=C(O)C=C2C)C1=O)C1=CC=C(O)C=C1 ChemAxon formula C17H14O6 ChemAxon inchi InChI=1S/C17H14O6/c1-8-7-11(19)13(20)12-14(21)17(22-2)16(23-15(8)12)9-3-5-10(18)6-4-9/h3-7,18-20H,1-2H3 ChemAxon inchikey BUWDKAOCACVEON-UHFFFAOYSA-N ChemAxon polar_surface_area 96.22 ChemAxon refractivity 84.67 ChemAxon polarizability 31.51 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 69021 Specdb::MsMs 69022 Specdb::MsMs 69023 Specdb::MsMs 127200 Specdb::MsMs 127201 Specdb::MsMs 127202 Specdb::MsMs 2439010 Specdb::MsMs 2439011 Specdb::MsMs 2439012 Specdb::MsMs 2524119 Specdb::MsMs 2524120 Specdb::MsMs 2524121 Specdb::CMs 16400 Specdb::CMs 45278 Specdb::CMs 136490 Specdb::CMs 144224 HMDB37243 #<Reference:0x000055ce325f9d48>