Dihydrojasmonic Acid - ≥98%(T) , CAS No.3572-64-3

CAS: 3572-64-3 Cat. No.: D154780 Molecular Weight: 212.29 EC Number: 222-687-8

GRADE & PURITY ≥98%(T)

Synonyms

CHEBI:177664 | CCG-38766 | 2-Amyl-3-oxocyclopentaneacetic Acid | DTXSID7027209 | SDCCGMLS-0066883.P001 | SR-05000002455-1 | EC 209-132-5 | Spectrum3_001615 | MFCD08276352 | EINECS 222-687-8 | Spectrum2_001650 | SCHEMBL216000 | Z431953402 | DOXYLAMINE HYDR

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

CHEBI:177664 | CCG-38766 | 2-Amyl-3-oxocyclopentaneacetic Acid | DTXSID7027209 | SDCCGMLS-0066883.P001 | SR-05000002455-1 | EC 209-132-5 | Spectrum3_001615 | MFCD08276352 | EINECS 222-687-8 | Spectrum2_001650 | SCHEMBL216000 | Z431953402 | DOXYLAMINE HYDR

Specifications & Purity

≥98%(T)

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%(T)

Names and Identifiers

• Pubchem Sid: 488187395
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187395
• Canonical Smiles: CCCCCC1C(CCC1=O)CC(=O)O
• IUPAC Name: 2-(3-oxo-2-pentylcyclopentyl)acetic acid
• InChIKey: PQEYTAGBXNEUQL-UHFFFAOYSA-N
• INCHI: 1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h9-10H,2-8H2,1H3,(H,14,15)
• Isomeric SMILES: CCCCCC1C(CCC1=O)CC(=O)O
• Molecular Weight: 212.29
• Reaxy-Rn: 2646970
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2646970&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Lineolic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Lineolic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Jasmonic acids
• Alternative Parents: Cyclic ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Jasmonic acid - Cyclic ketone - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as jasmonic acids. These are lipids containing or derived from a jasmonic acid, with a structure characterized by the presence of an alkene chain linked to a 2-(3-oxocyclopentyl)acetic acid moiety.
• 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

Associated Targets(Human)

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light Sensitive,Heat Sensitive
• Refractive Index: 1.47
• Molecular Weight: 212.280 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 212.141 Da
• Monoisotopic Mass: 212.141 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 235.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Liu Lin, Liu Liqin, Shi Shengyou, Shu Bo.  (2025)  Differential phytohormone related senescence regulation in main and lateral roots of longan (Dimocarpus longan Lour.).  PLANT GROWTH REGULATION,      [PMID:] [10.1007/s10725-025-01327-1]