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Record Information
Version1.0
Created at2021-01-06 01:30:13 UTC
Updated at2021-07-15 17:23:02 UTC
NP-MRD IDNP0016555
Secondary Accession NumbersNone
Natural Product Identification
Common NameSvetamycin G
Provided ByNPAtlasNPAtlas Logo
Description Svetamycin G is found in Streptomyces sp. It was first documented in 2017 (PMID: 28489377). Based on a literature review very few articles have been published on Svetamycin G (PMID: 34180937).
Structure
Thumb
SynonymsNot Available
Chemical FormulaC26H39BrN8O10
Average Mass703.5480 Da
Monoisotopic Mass702.19725 Da
IUPAC Name(3R,5S,10S,13S,14S,15R,23S,26S)-5-bromo-14,15-dihydroxy-23-(hydroxymethyl)-10,23,29,29-tetramethyl-21-oxa-1,7,8,11,17,18,24,30-octaazatetracyclo[24.4.0.0^{3,8}.0^{13,18}]triacont-16-ene-2,9,12,19,22,25-hexone
Traditional Name(3R,5S,10S,13S,14S,15R,23S,26S)-5-bromo-14,15-dihydroxy-23-(hydroxymethyl)-10,23,29,29-tetramethyl-21-oxa-1,7,8,11,17,18,24,30-octaazatetracyclo[24.4.0.0^{3,8}.0^{13,18}]triacont-16-ene-2,9,12,19,22,25-hexone
CAS Registry NumberNot Available
SMILES
C[C@@H]1NC(=O)[C@@H]2[C@H](O)[C@H](O)C=NN2C(=O)COC(=O)[C@](C)(CO)NC(=O)[C@@H]2CCC(C)(C)NN2C(=O)[C@H]2C[C@H](Br)CNN2C1=O
InChI Identifier
InChI=1S/C26H39BrN8O10/c1-12-22(42)33-15(7-13(27)8-28-33)23(43)34-14(5-6-25(2,3)32-34)20(40)31-26(4,11-36)24(44)45-10-17(38)35-18(21(41)30-12)19(39)16(37)9-29-35/h9,12-16,18-19,28,32,36-37,39H,5-8,10-11H2,1-4H3,(H,30,41)(H,31,40)/t12-,13-,14-,15+,16+,18-,19+,26-/m0/s1
InChI KeyFUGCIYKMSBCHMT-WIBSRNQJSA-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
logP-0.81ALOGPS
logP-4.3ChemAxon
logS-2.9ALOGPS
pKa (Strongest Acidic)10.27ChemAxon
pKa (Strongest Basic)4.41ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area242.54 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity176.08 m³·mol⁻¹ChemAxon
Polarizability63.98 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
NPAtlas IDNPA024242
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID78439465
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound139591398
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Dardic D, Lauro G, Bifulco G, Laboudie P, Sakhaii P, Bauer A, Vilcinskas A, Hammann PE, Plaza A: Svetamycins A-G, Unusual Piperazic Acid-Containing Peptides from Streptomyces sp. J Org Chem. 2017 Jun 16;82(12):6032-6043. doi: 10.1021/acs.joc.7b00228. Epub 2017 Jun 6. [PubMed:28489377 ]
  2. Morshed MT, Lacey E, Vuong D, Lacey AE, Lean SS, Moggach SA, Karuso P, Chooi YH, Booth TJ, Piggott AM: Chlorinated metabolites from Streptomyces sp. highlight the role of biosynthetic mosaics and superclusters in the evolution of chemical diversity. Org Biomol Chem. 2021 Jul 21;19(27):6147-6159. doi: 10.1039/d1ob00600b. Epub 2021 Jun 28. [PubMed:34180937 ]