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Showing NP-Card for Gymnopalynes A (NP0043896)

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Record Information
Version2.0
Created at2021-06-22 17:28:00 UTC
Updated at2026-02-09 16:01:32 UTC
NP-MRD IDNP0043896
Natural Product DOIhttps://doi.org/10.57994/5972
Secondary Accession NumbersNone
Natural Product Identification
Common NameGymnopalynes A
DescriptionGymnopalyne A belongs to the class of organic compounds known as isocoumarins and derivatives. These are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1. Gymnopalynes A was first documented in 2013 (PMID: 24175638). Based on a literature review very few articles have been published on Gymnopalyne A.
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0043896 (Gymnopalynes A)

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3D MOL for NP0043896 (Gymnopalynes A)

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3D SDF for NP0043896 (Gymnopalynes A)

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3D-SDF for NP0043896 (Gymnopalynes A)

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PDB for NP0043896 (Gymnopalynes A)

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3D PDB for NP0043896 (Gymnopalynes A)

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SMILES for NP0043896 (Gymnopalynes A)

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INCHI for NP0043896 (Gymnopalynes A)

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View in JSmol
Synonyms
ValueSource
3-(3-Chloroprop-1-yn-1-yl)-1H-isochromen-1-oneMeSH
Chemical FormulaC12H7ClO2
Average Mass218.6400 Da
Monoisotopic Mass218.01346 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C12H7ClO2/c13-7-3-5-10-8-9-4-1-2-6-11(9)12(14)15-10/h1-2,4,6,8H,7H2
InChI KeyGKFUWYMNGFBDGF-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, 700.0, Methanol-d4, simulated)[email protected]Not AvailableNot Available2026-02-09View Spectrum
1D NMR13C NMR Spectrum (1D, 175.0, Methanol-d4, simulated)[email protected]Not AvailableNot Available2026-02-09View Spectrum
Species
Species of Origin
Species NameSourceReference
Gymnopus sp.
      Not Available
Chemical Taxonomy
Description Belongs to the class of organic compounds known as isocoumarins and derivatives. These are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassIsocoumarins and derivatives
Sub ClassNot Available
Direct ParentIsocoumarins and derivatives
Alternative Parents
Substituents
  • Isocoumarin
  • Benzopyran
  • 2-benzopyran
  • Pyranone
  • Benzenoid
  • Pyran
  • Heteroaromatic compound
  • Lactone
  • Oxacycle
  • Organoheterocyclic compound
  • Hydrocarbon derivative
  • Alkyl chloride
  • Organooxygen compound
  • Organochloride
  • Organohalogen compound
  • Organic oxide
  • Organic oxygen compound
  • Alkyl halide
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic 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 ID30829909
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound72945292
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Thongbai B, Surup F, Mohr K, Kuhnert E, Hyde KD, Stadler M: Gymnopalynes A and B, chloropropynyl-isocoumarin antibiotics from cultures of the basidiomycete Gymnopus sp. J Nat Prod. 2013 Nov 22;76(11):2141-4. doi: 10.1021/np400609f. Epub 2013 Oct 31. [PubMed:24175638 ]
  2. DOI: 10.1021/np400609f
  3. PMID: 24175638