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Record Information
Version1.0
Created at2020-12-09 00:40:01 UTC
Updated at2021-07-15 16:46:19 UTC
NP-MRD IDNP0003396
Secondary Accession NumbersNone
Natural Product Identification
Common NameLuminacin B1
Provided ByNPAtlasNPAtlas Logo
Description Luminacin B1 is found in Streptomyces sp. It was first documented in 2000 (PMID: 10966073). Based on a literature review very few articles have been published on Luminacin B1.
Structure
Data?1624573808
SynonymsNot Available
Chemical FormulaC24H34O8
Average Mass450.5280 Da
Monoisotopic Mass450.22537 Da
IUPAC Name(2R)-1-[2,4-dihydroxy-5-(2-methylpropanoyl)phenyl]-2-[(2S,3S,4R,6R,8R)-2-ethyl-4,8-dihydroxy-1,5-dioxaspiro[2.5]octan-6-yl]-3-methylpentan-1-one
Traditional Name(2R)-1-[2,4-dihydroxy-5-(2-methylpropanoyl)phenyl]-2-[(2S,3S,4R,6R,8R)-2-ethyl-4,8-dihydroxy-1,5-dioxaspiro[2.5]octan-6-yl]-3-methylpentan-1-one
CAS Registry NumberNot Available
SMILES
CCC(C)C([C@H]1C[C@@H](O)[C@@]2(O[C@H]2CC)[C@H](O)O1)C(=O)C1=CC(C(=O)C(C)C)=C(O)C=C1O
InChI Identifier
InChI=1S/C24H34O8/c1-6-12(5)20(17-10-18(27)24(23(30)31-17)19(7-2)32-24)22(29)14-8-13(21(28)11(3)4)15(25)9-16(14)26/h8-9,11-12,17-20,23,25-27,30H,6-7,10H2,1-5H3/t12?,17-,18-,19+,20?,23-,24+/m1/s1
InChI KeyNWYMHIQKVQKIAG-STRQRDEYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 25 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 252 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 50 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 75 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 101 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 176 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 226 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Streptomyces sp.NPAtlas
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
logP2.87ALOGPS
logP4.46ChemAxon
logS-2.9ALOGPS
pKa (Strongest Acidic)7.16ChemAxon
pKa (Strongest Basic)-3.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area136.82 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity116.64 m³·mol⁻¹ChemAxon
Polarizability48.81 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
NPAtlas IDNPA013107
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDC00015582
Chemspider ID78437831
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound139586730
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Naruse N, Kageyama-Kawase R, Funahashi Y, Wakabayashi T: Luminacins: a family of capillary tube formation inhibitors from Streptomyces sp. I. Taxomony, fermentation, isolation, physico-chemical properties and structure elucidation. J Antibiot (Tokyo). 2000 Jun;53(6):579-90. doi: 10.7164/antibiotics.53.579. [PubMed:10966073 ]