decyl dihydrogen phosphate - Moligand™ , Agonist of LPA 2 receptor, CAS No.3921-30-0, Agonist of LPA 2 receptor

CAS: 3921-30-0 Cat. No.: D609788 EC Number: 223-491-5 PubChem CID: 62532

GRADE & PURITY Moligand™

Synonyms

Decyl phosphate | Decyl dihydrogen phosphate | DTXSID1042289 | UNII-JS9NP12Y1Y | SCHEMBL597742 | decanol phosphate | n-Decyl phosphoric acid | PHOSPHORIC ACID, MONODECYL ESTER | FAP10 | FAP-10 | monodecyl phosphate | AI3-17201 | SY299104 | EINECS 223-491-

Storage

Room temperature

Specifications

Synonyms

Decyl phosphate | Decyl dihydrogen phosphate | DTXSID1042289 | UNII-JS9NP12Y1Y | SCHEMBL597742 | decanol phosphate | n-Decyl phosphoric acid | PHOSPHORIC ACID, MONODECYL ESTER | FAP10 | FAP-10 | monodecyl phosphate | AI3-17201 | SY299104 | EINECS 223-491-

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of LPA 2 receptor

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCOP(=O)(O)O
• IUPAC Name: Decyl dihydrogen phosphate
• InChIKey: SCIGVHCNNXTQDB-UHFFFAOYSA-N
• INCHI: 1S/C10H23O4P/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13)
• Isomeric SMILES: CCCCCCCCCCOP(=O)(O)O
• PubChem CID: 62532

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Alkyl phosphates
          • Level6 Monoalkyl phosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Alkyl phosphates
• Direct Parent: Monoalkyl phosphates
• Alternative Parents: Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monoalkyl phosphate - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as monoalkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly one alkyl chain.
• 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)

LPAR2 Tchem Lysophosphatidic acid receptor 2 (1 Activities)

Discover Target: LPAR2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

LPAR1 Tchem Lysophosphatidic acid receptor Edg-2 (779 Activities)

Discover Target: LPAR1

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

LPAR2 Tchem Lysophosphatidic acid receptor Edg-4 (418 Activities)

Discover Target: LPAR2

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

LPAR3 Tchem Lysophosphatidic acid receptor Edg-7 (471 Activities)

Discover Target: LPAR3

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 238.260 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 238.133 Da
• Monoisotopic Mass: 238.133 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 178.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

References

1. Liping Yu, Wang Cheng, Meifen Tian, Zhigang Wu, Xiaoli Wei, Xing Cheng, Mingwei Yang, Xuan Ma.  (2024)  Antioxidant Activity and Volatile Oil Analysis of Ethanol Extract of Phoebe zhennan S. Lee et F. N. Wei Leaves.  Forests,  15  (2): (236).  [PMID:] [10.3390/f15020236]