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Showing NP-Card for Pogonatone C (NP0331473)

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Record Information
Version2.0
Created at2023-01-19 04:00:33 UTC
Updated at2026-02-25 09:03:32 UTC
NP-MRD IDNP0331473
Natural Product DOIhttps://doi.org/10.57994/0424
Secondary Accession NumbersNone
Natural Product Identification
Common NamePogonatone C
DescriptionPogonatone C belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups. Pogonatone C was first documented in 2023 (PMID: 36622886). Based on a literature review very few articles have been published on Pogonatone C.
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0331473 (Pogonatone C)

Not Available

3D MOL for NP0331473 (Pogonatone C)

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3D SDF for NP0331473 (Pogonatone C)

Not Available

3D-SDF for NP0331473 (Pogonatone C)

Not Available

PDB for NP0331473 (Pogonatone C)

Not Available

3D PDB for NP0331473 (Pogonatone C)

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SMILES for NP0331473 (Pogonatone C)

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INCHI for NP0331473 (Pogonatone C)

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View in JSmol
SynonymsNot Available
Chemical FormulaC22H19NO4
Average Mass361.3970 Da
Monoisotopic Mass361.13141 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C22H19NO4/c1-27-18-11-12-19(20(24)14-18)22(26)16-9-7-15(8-10-16)13-21(25)23-17-5-3-2-4-6-17/h2-12,14,24H,13H2,1H3,(H,23,25)
InChI KeyZAMBHXMLMPQTGO-UHFFFAOYSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)[email protected]Not AvailableNot Available2024-05-11View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)[email protected]Not AvailableNot Available2024-05-11View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 500.0, Chloroform-d, simulated)[email protected]Not AvailableNot Available2026-02-25View Spectrum
1D NMR13C NMR Spectrum (1D, 125.0, Chloroform-d, simulated)[email protected]Not AvailableNot Available2026-02-25View Spectrum
Species
Species of Origin
Species NameSourceReference
Pogonatum spinulosum
      Not Available
Pogonatum spinulosum
      Not Available
Chemical Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzophenones
Direct ParentBenzophenones
Alternative Parents
Substituents
  • Benzophenone
  • Aryl-phenylketone
  • Diphenylmethane
  • Phenylacetamide
  • Methoxyphenol
  • Anilide
  • Phenoxy compound
  • Methoxybenzene
  • Aryl ketone
  • N-arylamide
  • Phenol ether
  • Benzoyl
  • Anisole
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Alkyl aryl ether
  • Fatty acyl
  • Alpha-branched alpha,beta-unsaturated-ketone
  • N-acyl-amine
  • Fatty amide
  • Vinylogous acid
  • Alpha,beta-unsaturated ketone
  • Enone
  • Acryloyl-group
  • Ketone
  • Carboxamide group
  • Ether
  • Carboxylic acid derivative
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic 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 IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Duan WB, Peng AT, Yuan SN, Wang SN, Li BW, Duan XH: Two new benzophenones from the moss Pogonatum spinulosum. Nat Prod Res. 2023 Jan 9:1-6. doi: 10.1080/14786419.2023.2164857. [PubMed:36622886 ]
  2. DOI: 10.1080/14786419.2023.2164857
  3. PMID: 36622886