Phaseoloidin - ≥98% , CAS No.118555-82-1

CAS: 118555-82-1 Cat. No.: P412861 Formula: C₁₄H₁₈O₉ Molecular Weight: 330.29 PubChem CID: 14104237

GRADE & PURITY ≥98%

Synonyms

AKOS040758809 | MS-24951 | HY-N7400 | PHASEOLOIDIN | s3240 | [2-(beta-D-Glucopyranosyloxy)-5-hydroxyphenyl]acetic acid | AC-31927 | E80645 | 2-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetic acid | DTXSID7013478

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

Phaseoloidin Phaseoloidin, a homogentisic acid glucoside from Nicotiana attenuata trichomes, contributes to the plant's resistance against lepidopteran herbivores. Phaseoloidin has anti-complement effects.

Specifications

Synonyms

AKOS040758809 | MS-24951 | HY-N7400 | PHASEOLOIDIN | s3240 | [2-(beta-D-Glucopyranosyloxy)-5-hydroxyphenyl]acetic acid | AC-31927 | E80645 | 2-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetic acid | DTXSID7013478

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Phaseoloidin, a homogentisic acid glucoside from Nicotiana attenuata trichomes, contributes to the plant's resistance against lepidopteran herbivores. Phaseoloidin has anti-complement effects.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Product Properties

• ALogP: -0.92
• HBD Count: 5
• Rotatable Bond: 5

Names and Identifiers

• Pubchem Sid: 504767572
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767572
• Canonical Smiles: C1=CC(=C(C=C1O)CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O
• IUPAC Name: 2-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetic acid
• InChIKey: MVFYXXNAFZRZAM-RGCYKPLRSA-N
• INCHI: 1S/C14H18O9/c15-5-9-11(19)12(20)13(21)14(23-9)22-8-2-1-7(16)3-6(8)4-10(17)18/h1-3,9,11-16,19-21H,4-5H2,(H,17,18)/t9-,11-,12+,13-,14-/m1/s1
• Isomeric SMILES: C1=CC(=C(C=C1O)CC(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
• PubChem CID: 14104237
• Molecular Weight: 330.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 Phenolic glycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: Phenolic glycosides
• Alternative Parents: Hexoses O-glycosyl compounds 4-alkoxyphenols Phenol ethers Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids Oxanes Secondary alcohols Oxacyclic compounds Polyols Monocarboxylic acids and derivatives Carboxylic acids Acetals Organic oxides Hydrocarbon derivatives Primary alcohols Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenolic glycoside - Hexose monosaccharide - O-glycosyl compound - 4-alkoxyphenol - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Oxane - Secondary alcohol - Acetal - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Polyol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Alcohol - Primary alcohol - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 100 mg/mL (302.76 mM)
• Sensitivity: light sensitive
• DMSO(mg / mL) Max Solubility: 100
• DMSO(mM) Max Solubility: 302.764237488268
• Water(mg / mL) Max Solubility: -1
• Molecular Weight: 330.290 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 330.095 Da
• Monoisotopic Mass: 330.095 Da
• Topological Polar Surface Area: 157.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 404.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1