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Showing NP-Card for 3-(4-methoxy-2-oxo-2H-pyran-6-yl)propanoic acid (NP0043289)

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Record Information
Version2.0
Created at2021-06-21 00:44:25 UTC
Updated at2026-02-08 20:01:24 UTC
NP-MRD IDNP0043289
Natural Product DOIhttps://doi.org/10.57994/5808
Secondary Accession NumbersNone
Natural Product Identification
Common Name3-(4-methoxy-2-oxo-2H-pyran-6-yl)propanoic acid
Provided ByJEOL DatabaseJEOL Logo
Description3-(4-Methoxy-2-oxo-2H-pyran-6-yl)propanoic acid belongs to the class of organic compounds known as pyranones and derivatives. Pyranones and derivatives are compounds containing a pyran ring which bears a ketone. 3-(4-methoxy-2-oxo-2H-pyran-6-yl)propanoic acid was first documented in 2013 (PMID: 23517145). Based on a literature review very few articles have been published on 3-(4-methoxy-2-oxo-2H-pyran-6-yl)propanoic acid.
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0043289 (3-(4-methoxy-2-oxo-2H-pyran-6-yl)propanoic acid)

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3D MOL for NP0043289 (3-(4-methoxy-2-oxo-2H-pyran-6-yl)propanoic acid)

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3D SDF for NP0043289 (3-(4-methoxy-2-oxo-2H-pyran-6-yl)propanoic acid)

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3D-SDF for NP0043289 (3-(4-methoxy-2-oxo-2H-pyran-6-yl)propanoic acid)

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PDB for NP0043289 (3-(4-methoxy-2-oxo-2H-pyran-6-yl)propanoic acid)

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3D PDB for NP0043289 (3-(4-methoxy-2-oxo-2H-pyran-6-yl)propanoic acid)

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SMILES for NP0043289 (3-(4-methoxy-2-oxo-2H-pyran-6-yl)propanoic acid)

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INCHI for NP0043289 (3-(4-methoxy-2-oxo-2H-pyran-6-yl)propanoic acid)

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View in JSmol
Synonyms
ValueSource
3-(4-Methoxy-2-oxo-2H-pyran-6-yl)propanoateGenerator
Chemical FormulaC9H10O5
Average Mass198.1740 Da
Monoisotopic Mass198.05282 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C9H10O5/c1-13-7-4-6(2-3-8(10)11)14-9(12)5-7/h4-5H,2-3H2,1H3,(H,10,11)
InChI KeyANMIXQYGZDPTLJ-UHFFFAOYSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
Predicted Spectra
Not Available
Chemical Shift Submissions
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 400.0, Chloroform-d, simulated)[email protected]Not AvailableNot Available2026-02-08View Spectrum
1D NMR13C NMR Spectrum (1D, 100.0, Chloroform-d, simulated)[email protected]Not AvailableNot Available2026-02-08View Spectrum
Species
Species of Origin
Species NameSourceReference
Antrodia camphorata
      Not Available
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyranones and derivatives. Pyranones and derivatives are compounds containing a pyran ring which bears a ketone.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPyrans
Sub ClassPyranones and derivatives
Direct ParentPyranones and derivatives
Alternative Parents
Substituents
  • Alkyl aryl ether
  • Pyranone
  • Heteroaromatic compound
  • Vinylogous ester
  • Lactone
  • Carboxylic acid derivative
  • Carboxylic acid
  • Ether
  • Monocarboxylic acid or derivatives
  • Oxacycle
  • Carbonyl group
  • Organic oxide
  • Organic oxygen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted PropertiesNot Available
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID29418907
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound24123426
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Liaw CC, Chen YC, Huang GJ, Tsai YC, Chien SC, Wu JH, Wang SY, Chao LK, Sung PJ, Huang HC, Kuo YH: Anti-inflammatory lanostanoids and lactone derivatives from Antrodia camphorata. J Nat Prod. 2013 Apr 26;76(4):489-94. doi: 10.1021/np300443p. Epub 2013 Mar 21. [PubMed:23517145 ]
  2. Liaw, C. -C., et al. (2013). Liaw, C. -C., et al, J. Nat. Prod. 76, 489 (2013). J. Nat. Prod..
  3. DOI: 10.1021/np300443p
  4. PMID: 23517145