Np mrd loader

Record Information
Version2.0
Created at2023-11-02 00:00:29 UTC
Updated at2024-09-03 04:17:52 UTC
NP-MRD IDNP0332073
Natural Product DOIhttps://doi.org/10.57994/1201
Secondary Accession NumbersNone
Natural Product Identification
Common NameEuphylonane L
Description It was first documented in 2023 (PMID: 39312792). Based on a literature review a significant number of articles have been published on Euphylonane L (PMID: 39312814) (PMID: 39312772) (PMID: 39312753) (PMID: 39312630).
Structure
Thumb
SynonymsNot Available
Chemical FormulaC27H32O6
Average Mass452.5470 Da
Monoisotopic Mass452.21989 Da
IUPAC Name[(1S,4S,5S,6R,9S,10R,11R,12R,14R)-4,5,6-trihydroxy-3,7,11,14-tetramethyl-15-oxotetracyclo[7.5.1.0^{1,5}.0^{10,12}]pentadeca-2,7-dien-11-yl]methyl benzoate
Traditional Name[(1S,4S,5S,6R,9S,10R,11R,12R,14R)-4,5,6-trihydroxy-3,7,11,14-tetramethyl-15-oxotetracyclo[7.5.1.0^{1,5}.0^{10,12}]pentadeca-2,7-dien-11-yl]methyl benzoate
CAS Registry NumberNot Available
SMILES
[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](O)[C@@]3(O)[C@H](O)C(C)=C[C@]([H])(C4=O)[C@]1([H])[C@]2(C)COC(=O)C1=CC=CC=C1
InChI Identifier
InChI=1S/C27H32O6/c1-14-10-18-20-19(25(20,4)13-33-24(31)17-8-6-5-7-9-17)11-16(3)26(23(18)30)12-15(2)22(29)27(26,32)21(14)28/h5-10,12,16,18-22,28-29,32H,11,13H2,1-4H3/t16-,18+,19-,20+,21-,22+,25-,26+,27+/m1/s1
InChI KeyMJUJXVVBGLXVKI-AWUIGRCASA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot 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
logP2.79ChemAxon
pKa (Strongest Acidic)12.15ChemAxon
pKa (Strongest Basic)-3.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area104.06 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity123.85 m³·mol⁻¹ChemAxon
Polarizability48.11 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
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. Paun I, Pirvu F, Chiriac FL, Iancu VI, Pascu LF: Organophosphate flame retardants in Romania coastline: Occurrence, faith and environmental risk. Mar Pollut Bull. 2024 Sep 21;208:116982. doi: 10.1016/j.marpolbul.2024.116982. [PubMed:39312814 ]
  2. Baker E, Boone NC, Daily S, Soliday Hong SL, Yazejian N: Reflecting on Infant/Toddler Mental Health and the Early Care and Education Workforce in North Carolina. N C Med J. 2023 Jul;84(5):304-308. doi: 10.18043/001c.87525. [PubMed:39312792 ]
  3. V KK, Thomas SV, C Nair M, Nair PG, L NM, S A, Tripathi A, Mundada P, Yadav B, Rao BCS, D S, N S: Ayurvedic Management of Presbycusis (Project TOPMAC): Protocol for an Exploratory Randomized Controlled Trial. JMIR Res Protoc. 2024 Sep 23;13:e55089. doi: 10.2196/55089. [PubMed:39312772 ]
  4. Bookout T, Shideler S, Cooper E, Goff K, Headley JV, Gieg LM, Lewenza S: Construction of Whole Cell Bacterial Biosensors as an Alternative Environmental Monitoring Technology to Detect Naphthenic Acids in Oil Sands Process-Affected Water. ACS Synth Biol. 2024 Sep 23. doi: 10.1021/acssynbio.4c00260. [PubMed:39312753 ]
  5. Xu J, Li Y, Eatherall A, Freedlander S: Metamodel for Groundwater Leaching Assessment in Europe. J Agric Food Chem. 2024 Sep 23. doi: 10.1021/acs.jafc.4c03813. [PubMed:39312630 ]