1.0 2016-05-27 01:38:32 UTC 2026-08-22 01:09:13 UTC Paeoniflorin SmallMolecule Paeoniflorin is an organic compound with the formula C23H28O11 and an average molecular weight of 480.46 g/mol. Paeoniflorin belongs to the terpene glycosides, a subclass of prenol lipids within the organic compounds. In industrial applications, it is used as a humectant. The compound is found in or released from 15 recorded sources across several sectors. Within the Electrical & Electronic Equipment sector, it is associated with capacitors, batteries, wires and cables, cell phones, printed circuit boards, and one additional source. It is found in synthetic textiles, carpets and rugs within the textiles, leather & furnishings sector. In the building & construction sector, it is linked to stairs and ramps as well as ladders. Other recorded sources include medical devices in the healthcare, pharmaceuticals & veterinary products sector, lubricants in the energy, oil & gas sector, and food packaging in the food, food processing & cookware sector, along with two more sectors. Exposure to paeoniflorin can occur through oral, inhalation, and touch routes. Regarding its biological activity, there is one recorded protein target for this compound, which acts as a modulator of the Adenosine receptor A1 (ADORA1). PFAS Phytotoxin C23H28O11 480.4618 480.163161738 [(1R,2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.0²,⁵.0³,⁸]decan-2-yl]methyl benzoate paeoniflorin 23180-57-6 [H][C@@]12C[C@@]3(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]1(COC(=O)C1=CC=CC=C1)[C@@]1([H])O[C@]2(O)C[C@]3(C)O1 InChI=1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13-,14-,15+,16-,18+,19-,20+,21+,22-,23+/m1/s1 YKRGDOXKVOZESV-WRJNSLSBSA-N Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Terpene glycosides 1,3-dioxanes Acetals Aromatic monoterpenoids Benzoic acid esters Benzoyl derivatives Bicyclic monoterpenoids Carboxylic acid esters Cyclic alcohols and derivatives Furofurans Hemiacetals Hexoses Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Oxepanes Polyols Primary alcohols Secondary alcohols Tetrahydrofurans Acetal Alcohol Aromatic heteropolycyclic compound Aromatic monoterpenoid Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Furofuran Glycosyl compound Hemiacetal Hexose monosaccharide Hydrocarbon derivative Meta-dioxane Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide Monoterpenoid Nopinane monoterpenoid O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxepane Pinane monoterpenoid Polyol Primary alcohol Secondary alcohol Terpene glycoside Tetrahydrofuran Aromatic heteropolycyclic compounds terpene glycoside Detected and Not Quantified logp -0.39 logp -0.74 ALOGPS logs -1.96 ALOGPS solubility 5.32e+00 g/l ALOGPS logp -0.39 ChemAxon pka_strongest_acidic 11.54 ChemAxon pka_strongest_basic -3 ChemAxon iupac [(1R,2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.0²,⁵.0³,⁸]decan-2-yl]methyl benzoate ChemAxon average_mass 480.4618 ChemAxon mono_mass 480.163161738 ChemAxon smiles [H][C@@]12C[C@@]3(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]1(COC(=O)C1=CC=CC=C1)[C@@]1([H])O[C@]2(O)C[C@]3(C)O1 ChemAxon formula C23H28O11 ChemAxon inchi InChI=1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13-,14-,15+,16-,18+,19-,20+,21+,22-,23+/m1/s1 ChemAxon inchikey YKRGDOXKVOZESV-WRJNSLSBSA-N ChemAxon polar_surface_area 164.37 ChemAxon refractivity 109.3 ChemAxon polarizability 63.3 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 10 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bf3357808> DB16288 21115231 21172876 BE0000013