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Showing NP-Card for (+)-Cochlearin K (NP0331467)

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Record Information
Version2.0
Created at2023-01-17 20:02:08 UTC
Updated at2024-09-03 04:15:49 UTC
NP-MRD IDNP0331467
Natural Product DOIhttps://doi.org/10.57994/0418
Secondary Accession NumbersNone
Natural Product Identification
Common Name(+)-Cochlearin K
Description(+)-Cochlearin K belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. (+)-Cochlearin K was first documented in 2023 (PMID: 36586625). Based on a literature review very few articles have been published on (+)-Cochlearin K.
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0331467 ((+)-Cochlearin K)

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3D MOL for NP0331467 ((+)-Cochlearin K)

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3D SDF for NP0331467 ((+)-Cochlearin K)

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3D-SDF for NP0331467 ((+)-Cochlearin K)

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PDB for NP0331467 ((+)-Cochlearin K)

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3D PDB for NP0331467 ((+)-Cochlearin K)

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SMILES for NP0331467 ((+)-Cochlearin K)

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INCHI for NP0331467 ((+)-Cochlearin K)

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View in JSmol
SynonymsNot Available
Chemical FormulaC21H26O6
Average Mass374.4330 Da
Monoisotopic Mass374.17294 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C21H26O6/c1-14(2)6-4-10-21(3,27)11-5-7-15(20(25)26)12-19(24)17-13-16(22)8-9-18(17)23/h5-9,11,13,22-23,27H,4,10,12H2,1-3H3,(H,25,26)/b11-5+,15-7+/t21-/m0/s1
InChI KeyWDCJVQBZRHBDTL-DETBAYCCSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D_DEPT NMR13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)mhchiu@mail.kib.ac.cnNot AvailableNot Available2024-05-11View Spectrum
HMBC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)mhchiu@mail.kib.ac.cnNot AvailableNot Available2024-05-11View Spectrum
1D_DEPT NMR13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)mhchiu@mail.kib.ac.cnNot AvailableNot Available2024-05-11View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)mhchiu@mail.kib.ac.cnNot AvailableNot Available2024-05-11View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)mhchiu@mail.kib.ac.cnNot AvailableNot Available2024-05-11View Spectrum
ROESY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)mhchiu@mail.kib.ac.cnNot AvailableNot Available2024-05-11View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)mhchiu@mail.kib.ac.cnNot AvailableNot Available2024-05-11View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)mhchiu@mail.kib.ac.cnNot AvailableNot Available2024-05-11View Spectrum
1D NMR1H NMR Spectrum (1D, 600 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 sesquiterpenoids. These are terpenes with three consecutive isoprene units.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassSesquiterpenoids
Direct ParentSesquiterpenoids
Alternative Parents
Substituents
  • Farsesane sesquiterpenoid
  • Sesquiterpenoid
  • Alkyl-phenylketone
  • Prenylbenzoquinol
  • Butyrophenone
  • Phenylketone
  • Aryl alkyl ketone
  • Aryl ketone
  • Gamma-keto acid
  • Benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • Short-chain keto acid
  • Phenol
  • Hydroxy fatty acid
  • Branched fatty acid
  • Fatty acyl
  • Alpha-branched alpha,beta-unsaturated-ketone
  • Benzenoid
  • Unsaturated fatty acid
  • Keto acid
  • Monocyclic benzene moiety
  • Vinylogous acid
  • Alpha,beta-unsaturated ketone
  • Tertiary alcohol
  • Enone
  • Acryloyl-group
  • Ketone
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Alcohol
  • 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. DOI: 10.1016/j.fitote.2022.105420
  2. PII: s0367326x22002982