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Record Information
Version1.0
Created at2020-12-09 00:31:09 UTC
Updated at2021-07-15 16:45:37 UTC
NP-MRD IDNP0003138
Secondary Accession NumbersNone
Natural Product Identification
Common NameMemnoconol
Provided ByNPAtlasNPAtlas Logo
Description Memnoconol is found in Memnoniella and Memnoniella echinata (JS6308). It was first documented in 1999 (PMID: 10656571). Based on a literature review very few articles have been published on 5-[(2E,6E)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dien-1-yl]-4,6-dihydroxy-1,3-dihydro-2-benzofuran-1-one.
Structure
Data?1624573739
SynonymsNot Available
Chemical FormulaC23H32O6
Average Mass404.5030 Da
Monoisotopic Mass404.21989 Da
IUPAC Name5-[(2E,6E,10S)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dien-1-yl]-4,6-dihydroxy-1,3-dihydro-2-benzofuran-1-one
Traditional Name5-[(2E,6E,10S)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dien-1-yl]-4,6-dihydroxy-3H-2-benzofuran-1-one
CAS Registry NumberNot Available
SMILES
C\C(CCC(O)C(C)(C)O)=C/CC\C(C)=C\CC1=C(O)C=C2C(=O)OCC2=C1O
InChI Identifier
InChI=1S/C23H32O6/c1-14(6-5-7-15(2)9-11-20(25)23(3,4)28)8-10-16-19(24)12-17-18(21(16)26)13-29-22(17)27/h7-8,12,20,24-26,28H,5-6,9-11,13H2,1-4H3/b14-8+,15-7+
InChI KeyUGAPAMJJWSEADB-DRRSQLPWSA-N
Spectra
Spectrum TypeDescriptionDepositor IDDeposition DateView
1D NMR13C NMR Spectrum (1D, 25 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 252 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 50 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 75 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 101 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 176 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 226 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)Wishart Lab2021-06-20View Spectrum
Species
Species of Origin
Species NameSourceReference
Memnoniella
Memnoniella echinata (JS6308)-
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
logP3.57ALOGPS
logP3.83ChemAxon
logS-4.6ALOGPS
pKa (Strongest Acidic)7.92ChemAxon
pKa (Strongest Basic)-3.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area107.22 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity114.8 m³·mol⁻¹ChemAxon
Polarizability45.22 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
NPAtlas IDNPA000531
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID8867940
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound10692595
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Hinkley SF, Fettinger JC, Dudley K, Jarvis BB: Memnobotrins and memnoconols: novel metabolites from Memnoniella echinata. J Antibiot (Tokyo). 1999 Nov;52(11):988-97. doi: 10.7164/antibiotics.52.988. [PubMed:10656571 ]