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Showing NP-Card for Santinol A3 (NP0043964)

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Record Information
Version2.0
Created at2021-06-22 17:43:05 UTC
Updated at2026-02-28 08:00:42 UTC
NP-MRD IDNP0043964
Natural Product DOIhttps://doi.org/10.57994/8361
Secondary Accession NumbersNone
Natural Product Identification
Common NameSantinol A3
DescriptionSantinol A3 belongs to the class of organic compounds known as 1,3-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 3. Santinol A3 is found in Helichrysum italicum subsp. Microphyllum. Santinol A3 was first documented in 2013 (PMID: 23265253). Based on a literature review very few articles have been published on Santinol A3.
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0043964 (Santinol A3)

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3D MOL for NP0043964 (Santinol A3)

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3D SDF for NP0043964 (Santinol A3)

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3D-SDF for NP0043964 (Santinol A3)

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PDB for NP0043964 (Santinol A3)

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3D PDB for NP0043964 (Santinol A3)

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SMILES for NP0043964 (Santinol A3)

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INCHI for NP0043964 (Santinol A3)

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View in JSmol
SynonymsNot Available
Chemical FormulaC24H44O5
Average Mass412.6110 Da
Monoisotopic Mass412.31887 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C24H44O5/c1-5-21(4)24(27)29-19-22(25)18-28-23(26)17-15-13-11-9-7-6-8-10-12-14-16-20(2)3/h5,20,22,25H,6-19H2,1-4H3/b21-5+/t22-/m0/s1
InChI KeySOCHYJPAQHWUNU-XTUNZCEJSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
Predicted Spectra
Not Available
Chemical Shift Submissions
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, simulated)[email protected]Not AvailableNot Available2026-02-28View Spectrum
1D NMR13C NMR Spectrum (1D, simulated)[email protected]Not AvailableNot Available2026-02-28View Spectrum
Species
Species of Origin
Species NameSourceReference
Helichrysum italicum subsp. Microphyllum
Helichrysum italicum subsp. Microphyllum
      Not Available
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 1,3-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 3.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassGlycerolipids
Sub ClassDiradylglycerols
Direct Parent1,3-diacylglycerols
Alternative Parents
Substituents
  • 1,3-acyl-sn-glycerol
  • Fatty acid ester
  • Fatty acyl
  • Dicarboxylic acid or derivatives
  • Alpha,beta-unsaturated carboxylic ester
  • Enoate ester
  • Secondary alcohol
  • Carboxylic acid ester
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic 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 Compound132917660
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Taglialatela-Scafati O, Pollastro F, Chianese G, Minassi A, Gibbons S, Arunotayanun W, Mabebie B, Ballero M, Appendino G: Antimicrobial phenolics and unusual glycerides from Helichrysum italicum subsp. microphyllum. J Nat Prod. 2013 Mar 22;76(3):346-53. doi: 10.1021/np3007149. Epub 2012 Dec 24. [PubMed:23265253 ]
  2. DOI: 10.1021/np3007149
  3. PMID: 23265253