1.0 2010-04-08 22:13:01 UTC 2025-11-19 01:53:23 UTC FDB017320 Petunidin 3-(p-coumaroylglucoside) Isolated from grapes. Petunidin 3-(p-coumaroylglucoside) is found in fruits and common grape. Petunidin 3-(p-coumaroylglucoside) Petunidin 3-O-[4-Hydroxycinnamoyl-(->?)-b-D-glucopyranoside] Petunidin 3-O-[4-Hydroxycinnamoyl-(->?)-b-D-glucoside] Petunidin 3-O-[p-coumaroyl-(->?)-b-D-glucoside] C16H13O7 317.2702 317.06612777 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1lambda4-chromen-1-ylium 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1lambda4-chromen-1-ylium 1429-30-7 COC1=CC(=CC(O)=C1O)C1=C(O)C=C2C(O)=CC(O)=CC2=[O+]1 InChI=1S/C16H12O7/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16/h2-6H,1H3,(H4-,17,18,19,20,21)/p+1 AFOLOMGWVXKIQL-UHFFFAOYSA-O 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-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Alkyl aryl ethers Anisoles Anthocyanidins Catechols Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Organic cations Oxacyclic compounds Phenoxy compounds Polyols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 3-hydroxyflavonoid 3p-methoxyflavonoid-skeleton 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Alkyl aryl ether Anisole Anthocyanidin Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechol Ether Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic cation Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Polyol Anthocyanidins Anthocyanidins anthocyanidin cation logp 2.43 ALOGPS logs -3.93 ALOGPS solubility 4.16e-02 g/l ALOGPS logp 2.8 ChemAxon pka_strongest_acidic 5.99 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1lambda4-chromen-1-ylium ChemAxon average_mass 317.2702 ChemAxon mono_mass 317.06612777 ChemAxon smiles COC1=CC(=CC(O)=C1O)C1=C(O)C=C2C(O)=CC(O)=CC2=[O+]1 ChemAxon formula C16H13O7 ChemAxon inchi InChI=1S/C16H12O7/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16/h2-6H,1H3,(H4-,17,18,19,20,21)/p+1 ChemAxon inchikey AFOLOMGWVXKIQL-UHFFFAOYSA-O ChemAxon polar_surface_area 123.52 ChemAxon refractivity 90.58 ChemAxon polarizability 31.1 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 1 ChemAxon Specdb::CMs 2602 Specdb::CMs 54365 Specdb::CMs 155539 Specdb::MsMs 50181 Specdb::MsMs 50182 Specdb::MsMs 50183 Specdb::MsMs 140553 Specdb::MsMs 140554 Specdb::MsMs 140555 Specdb::MsMs 1479288 Specdb::MsMs 1479386 Specdb::MsMs 2822987 Specdb::MsMs 2822988 Specdb::MsMs 2822989 Common grape Type 1 specific Vitis vinifera 29760 Fruits Unknown generic