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Showing NP-Card for (+)-Cochlearin L (NP0331464)

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Record Information
Version2.0
Created at2023-01-17 20:00:57 UTC
Updated at2024-09-03 04:15:49 UTC
NP-MRD IDNP0331464
Natural Product DOIhttps://doi.org/10.57994/0415
Secondary Accession NumbersNone
Natural Product Identification
Common Name(+)-Cochlearin L
Description(+)-Cochlearin L belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. (+)-Cochlearin L was first documented in 2023 (PMID: 36586625). Based on a literature review very few articles have been published on (+)-Cochlearin L.
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0331464 ((+)-Cochlearin L)

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3D MOL for NP0331464 ((+)-Cochlearin L)

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3D SDF for NP0331464 ((+)-Cochlearin L)

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3D-SDF for NP0331464 ((+)-Cochlearin L)

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PDB for NP0331464 ((+)-Cochlearin L)

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3D PDB for NP0331464 ((+)-Cochlearin L)

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SMILES for NP0331464 ((+)-Cochlearin L)

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INCHI for NP0331464 ((+)-Cochlearin L)

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View in JSmol
SynonymsNot Available
Chemical FormulaC16H18O6
Average Mass306.3140 Da
Monoisotopic Mass306.11034 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C16H18O6/c1-21-14-11-3-2-6-16(11,15(20)22-14)8-13(19)10-7-9(17)4-5-12(10)18/h4-5,7,11,14,17-18H,2-3,6,8H2,1H3/t11-,14+,16+/m1/s1
InChI KeyZDDNQIFEBVUZNE-WPGHFRTFSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
ROESY NMR[1H, 1H] NMR Spectrum (2D, 800 MHz, CD3OD, experimental)mhchiu@mail.kib.ac.cnNot AvailableNot Available2024-05-11View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 800 MHz, CD3OD, experimental)mhchiu@mail.kib.ac.cnNot AvailableNot Available2024-05-11View Spectrum
HMBC NMR[1H, 13C] NMR Spectrum (2D, 800 MHz, CD3OD, experimental)mhchiu@mail.kib.ac.cnNot AvailableNot Available2024-05-11View Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, CD3OD, experimental)mhchiu@mail.kib.ac.cnNot AvailableNot Available2024-05-11View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 800 MHz, CD3OD, experimental)mhchiu@mail.kib.ac.cnNot AvailableNot Available2024-05-11View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)mhchiu@mail.kib.ac.cnNot AvailableNot Available2024-05-11View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)mhchiu@mail.kib.ac.cnNot AvailableNot Available2024-05-11View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)mhchiu@mail.kib.ac.cnNot AvailableNot Available2024-05-11View Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, CD3OD, experimental)mhchiu@mail.kib.ac.cnNot AvailableNot Available2024-05-11View Spectrum
Predicted Spectra
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Chemical Shift Submissions
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Species
Species of Origin
Species NameSourceReference
Ganoderma cochlear
      Not Available
Chemical Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbonyl compounds
Direct ParentAlkyl-phenylketones
Alternative Parents
Substituents
  • Alkyl-phenylketone
  • Aryl alkyl ketone
  • Gamma-keto acid
  • Benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Fatty acid ester
  • Fatty acyl
  • Alpha-branched alpha,beta-unsaturated-ketone
  • Benzenoid
  • Keto acid
  • Gamma butyrolactone
  • Beta-hydroxy ketone
  • Monocyclic benzene moiety
  • Vinylogous acid
  • Alpha,beta-unsaturated ketone
  • Tetrahydrofuran
  • Enone
  • Acryloyl-group
  • Lactone
  • Carboxylic acid ester
  • Oxacycle
  • Organoheterocyclic compound
  • Monocarboxylic acid or derivatives
  • Carboxylic acid derivative
  • Organic oxide
  • Hydrocarbon derivative
  • 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 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. DOI: 10.1016/j.fitote.2022.105420
  2. PII: s0367326x22002982