1.0 2016-09-30 23:18:39 UTC 2020-04-22 15:16:21 UTC BMDB0005797 BMDB05797 Peonidin 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium chloride 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride Peonidin C16H13ClO6 336.724 336.040065855 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1λ⁴-chromen-1-ylium chloride peonidin chloride 134-01-0 [Cl-].COC1=C(O)C=CC(=C1)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O InChI=1S/C16H12O6.ClH/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16;/h2-7H,1H3,(H3-,17,18,19,20);1H OGBSHLKSHNAPEW-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. Organic compounds Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids 3'-O-methylated flavonoids 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Alkyl aryl ethers Anisoles Anthocyanidins Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Organic chloride salts Organic zwitterions Oxacyclic compounds Phenoxy compounds Polyols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3-hydroxyflavonoid 3p-methoxyflavonoid-skeleton 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Alkyl aryl ether Anisole Anthocyanidin Aromatic heteropolycyclic compound Benzenoid Benzopyran Ether Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic chloride salt Organic oxygen compound Organic salt Organic zwitterion Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Polyol Aromatic heteropolycyclic compounds anthocyanidin chloride Solid logp 2.61 ALOGPS logs -4.15 ALOGPS logp 3.08 ChemAxon pka_strongest_acidic 6.01 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1λ⁴-chromen-1-ylium chloride ChemAxon average_mass 336.724 ChemAxon mono_mass 336.040065855 ChemAxon smiles [Cl-].COC1=C(O)C=CC(=C1)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O ChemAxon formula C16H13ClO6 ChemAxon inchi InChI=1S/C16H12O6.ClH/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16;/h2-7H,1H3,(H3-,17,18,19,20);1H ChemAxon inchikey OGBSHLKSHNAPEW-UHFFFAOYSA-N ChemAxon polar_surface_area 103.29 ChemAxon refractivity 88.6 ChemAxon polarizability 30.15 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 24486 Specdb::CMs 38892 Specdb::CMs 131643 Specdb::CMs 139377 Specdb::MsMs 57753 Specdb::MsMs 57754 Specdb::MsMs 57755 Specdb::MsMs 113523 Specdb::MsMs 113524 Specdb::MsMs 113525 Specdb::MsMs 2762341 Specdb::MsMs 2762342 Specdb::MsMs 2762343 C08726 FDB002753 164544 144246 75033 Peonidin Lu, Ting Sen; Saito, Norio; Yokoi, Masato; Shigihara, Atsushi; Honda, Toshio. An acylated peonidin glycoside in the violet-blue flowers of Pharbitis nil. Phytochemistry (1991), 30(7), 2387-90.