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

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Record Information
Version1.0
Created at2023-01-17 20:00:57 UTC
Updated at2024-05-13 01:14:34 UTC
NP-MRD IDNP0331464
Secondary Accession NumbersNone
Natural Product Identification
Common Name(+)-Cochlearin L
DescriptionNot Available
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)
[H][C@]12CCC[C@@]1(CC(=O)C1=CC(O)=CC=C1O)C(=O)O[C@@H]2OC
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INCHI for NP0331464 ((+)-Cochlearin L)
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
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SynonymsNot Available
Chemical FormulaC16H18O6
Average Mass306.3140 Da
Monoisotopic Mass306.11034 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
[H][C@]12CCC[C@@]1(CC(=O)C1=CC(O)=CC=C1O)C(=O)O[C@@H]2OC
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
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
cochlear
      Not Available
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
External LinksNot Available
References
General References
  1. Fang DS, Cheng CR, Qiu MH, Peng XR: Diverse meroterpenoids with alpha-glucosidase inhibitory activity from Ganoderma cochlear. Fitoterapia. 2023 Mar;165:105420. doi: 10.1016/j.fitote.2022.105420. Epub 2022  Dec 29. [PubMed:36586625  ]