Np mrd loader

Record Information
Version2.0
Created at2022-06-29 20:16:14 UTC
Updated at2022-06-29 20:16:14 UTC
NP-MRD IDNP0139910
Secondary Accession NumbersNone
Natural Product Identification
Common NameCollinin
DescriptionCOLLININ belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. Collinin is found in Flindersia maculosa, Haplophyllum alberti-regelii and Zanthoxylum schinifolium. Collinin was first documented in 2013 (PMID: 22897650). Based on a literature review a small amount of articles have been published on COLLININ (PMID: 26753624) (PMID: 33199969) (PMID: 32007684) (PMID: 30097109).
Structure
Thumb
SynonymsNot Available
Chemical FormulaC20H24O4
Average Mass328.4080 Da
Monoisotopic Mass328.16746 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
COC1=C(OC\C=C(/C)CCC=C(C)C)C=CC2=C1OC(=O)C=C2
InChI Identifier
InChI=1S/C20H24O4/c1-14(2)6-5-7-15(3)12-13-23-17-10-8-16-9-11-18(21)24-19(16)20(17)22-4/h6,8-12H,5,7,13H2,1-4H3/b15-12+
InChI KeyMJWGWXGEAHRWOV-NTCAYCPXSA-N
Experimental Spectra
Not Available
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 25 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 100 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 252 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 1000 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 50 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 200 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 75 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 300 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 101 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 176 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 226 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 900 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Flindersia maculosaLOTUS Database
Haplophyllum alberti-regeliiLOTUS Database
Zanthoxylum schinifoliumLOTUS Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassTerpene lactones
Direct ParentTerpene lactones
Alternative Parents
Substituents
  • Terpene lactone
  • Coumarin
  • Aromatic monoterpenoid
  • Benzopyran
  • Bicyclic monoterpenoid
  • Monoterpenoid
  • 1-benzopyran
  • Anisole
  • Alkyl aryl ether
  • Pyranone
  • Pyran
  • Benzenoid
  • Heteroaromatic compound
  • Lactone
  • Organoheterocyclic compound
  • Ether
  • Oxacycle
  • Organic oxygen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • 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 Properties
PropertyValueSource
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDC00019863
Chemspider ID4475175
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5316012
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Nguyen PH, Zhao BT, Kim O, Lee JH, Choi JS, Min BS, Woo MH: Anti-inflammatory terpenylated coumarins from the leaves of Zanthoxylum schinifolium with alpha-glucosidase inhibitory activity. J Nat Med. 2016 Apr;70(2):276-81. doi: 10.1007/s11418-015-0957-x. Epub 2016 Jan 11. [PubMed:26753624 ]
  2. Chidambaram S, El-Sheikh MA, Alfarhan AH, Radhakrishnan S, Akbar I: Synthesis of novel coumarin analogues: Investigation of molecular docking interaction of SARS-CoV-2 proteins with natural and synthetic coumarin analogues and their pharmacokinetics studies. Saudi J Biol Sci. 2021 Jan;28(1):1100-1108. doi: 10.1016/j.sjbs.2020.11.038. Epub 2020 Nov 12. [PubMed:33199969 ]
  3. Pardo-Castano C, Vasquez D, Bolanos G, Contreras A: Strong antimicrobial activity of collinin and isocollinin against periodontal and superinfectant pathogens in vitro. Anaerobe. 2020 Apr;62:102163. doi: 10.1016/j.anaerobe.2020.102163. Epub 2020 Jan 21. [PubMed:32007684 ]
  4. Kim S, Seo H, Mahmud HA, Islam MI, Lee BE, Cho ML, Song HY: In vitro activity of collinin isolated from the leaves of Zanthoxylum schinifolium against multidrug- and extensively drug-resistant Mycobacterium tuberculosis. Phytomedicine. 2018 Jul 15;46:104-110. doi: 10.1016/j.phymed.2018.04.029. Epub 2018 Apr 17. [PubMed:30097109 ]
  5. Santos J, Marquis A, Epifano F, Genovese S, Curini M, Grenier D: Collinin reduces Porphyromonas gingivalis growth and collagenase activity and inhibits the lipopolysaccharide-induced macrophage inflammatory response and osteoclast differentiation and function. J Periodontol. 2013 May;84(5):704-11. doi: 10.1902/jop.2012.120118. Epub 2012 Aug 16. [PubMed:22897650 ]