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Showing NP-Card for (+)-Cochlearin J (NP0331466)

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Record Information
Version2.0
Created at2023-01-17 20:01:51 UTC
Updated at2024-09-03 04:15:49 UTC
NP-MRD IDNP0331466
Natural Product DOIhttps://doi.org/10.57994/0417
Secondary Accession NumbersNone
Natural Product Identification
Common Name(+)-Cochlearin J
Description(+)-Cochlearin J belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. (+)-Cochlearin J was first documented in 2023 (PMID: 36586625). Based on a literature review very few articles have been published on (+)-Cochlearin J.
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0331466 ((+)-Cochlearin J)

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3D MOL for NP0331466 ((+)-Cochlearin J)

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3D SDF for NP0331466 ((+)-Cochlearin J)

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3D-SDF for NP0331466 ((+)-Cochlearin J)

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PDB for NP0331466 ((+)-Cochlearin J)

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3D PDB for NP0331466 ((+)-Cochlearin J)

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SMILES for NP0331466 ((+)-Cochlearin J)

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INCHI for NP0331466 ((+)-Cochlearin J)

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View in JSmol
SynonymsNot Available
Chemical FormulaC33H36O8
Average Mass560.6430 Da
Monoisotopic Mass560.24102 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C33H36O8/c1-18(2)7-6-8-20(30(36)37)9-10-21-15-22(34)16-23-27-25(35)11-12-26-28(27)33(41-29(21)23)17-32(40-26,31(38)39-5)14-13-24(33)19(3)4/h7,9,11-12,15-16,24,34-35H,3,6,8,10,13-14,17H2,1-2,4-5H3,(H,36,37)/b20-9-/t24-,32-,33+/m1/s1
InChI KeyKPVWCAFGFUFXMF-AMLIQZDXSA-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
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 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
1D NMR1H NMR Spectrum (1D, 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
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
Predicted Spectra
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Chemical Shift Submissions
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Species
Species of Origin
Species NameSourceReference
cochlear
      Not Available
Chemical Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassDiterpenoids
Direct ParentDiterpenoids
Alternative Parents
Substituents
  • Diterpenoid
  • Dibenzopyran
  • 2-benzopyran
  • 1-benzopyran
  • Benzopyran
  • Chromane
  • 1-hydroxy-2-unsubstituted benzenoid
  • Fatty acid ester
  • Alkyl aryl ether
  • Fatty acyl
  • Benzenoid
  • Pyran
  • Dicarboxylic acid or derivatives
  • Methyl ester
  • Carboxylic acid ester
  • Oxacycle
  • Organoheterocyclic compound
  • Ether
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • 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 ReferencesNot Available