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Record Information
Version1.0
Created at2021-01-06 07:41:29 UTC
Updated at2021-07-15 17:39:15 UTC
NP-MRD IDNP0022515
Secondary Accession NumbersNone
Natural Product Identification
Common NameSF2738C
Provided ByNPAtlasNPAtlas Logo
Description SF2738C is found in Streptomyces sp. It was first documented in 1994 (PMID: 7844033). Based on a literature review very few articles have been published on SCHEMBL2625183 (PMID: 34352962) (PMID: 34352961) (PMID: 34352960) (PMID: 34352959).
Structure
Data?1624507114
Synonyms
ValueSource
[4-Methoxy-5-(methylsulphanyl)-[2,2'-bipyridine]-6-yl]methanolGenerator
Chemical FormulaC13H14N2O2S
Average Mass262.3300 Da
Monoisotopic Mass262.07760 Da
IUPAC Name[4-methoxy-5-(methylsulfanyl)-[2,2'-bipyridine]-6-yl]methanol
Traditional Name[4-methoxy-5-(methylsulfanyl)-[2,2'-bipyridine]-6-yl]methanol
CAS Registry NumberNot Available
SMILES
COC1=CC(=NC(CO)=C1SC)C1=CC=CC=N1
InChI Identifier
InChI=1S/C13H14N2O2S/c1-17-12-7-10(9-5-3-4-6-14-9)15-11(8-16)13(12)18-2/h3-7,16H,8H2,1-2H3
InChI KeyMKEKAXKNTUEPCM-UHFFFAOYSA-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
DescriptionThis compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPyridines and derivatives
Sub ClassBipyridines and oligopyridines
Direct ParentBipyridines and oligopyridines
Alternative Parents
Substituents
  • Bipyridine
  • Aryl thioether
  • Alkyl aryl ether
  • Alkylarylthioether
  • Heteroaromatic compound
  • Ether
  • Thioether
  • Sulfenyl compound
  • Azacycle
  • Organic nitrogen compound
  • Primary alcohol
  • Organosulfur compound
  • Organooxygen compound
  • Organonitrogen compound
  • Alcohol
  • Aromatic alcohol
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic 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 Properties
PropertyValueSource
logP2.17ALOGPS
logP1.74ChemAxon
logS-3.4ALOGPS
pKa (Strongest Acidic)13.93ChemAxon
pKa (Strongest Basic)3.68ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area55.24 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity71.65 m³·mol⁻¹ChemAxon
Polarizability28.36 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
NPAtlas IDNPA006095
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID8259603
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound10084065
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Gomi S, Amano S, Sato E, Miyadoh S, Kodama Y: Novel antibiotics SF2738A, B and C, and their analogs produced by Streptomyces sp. J Antibiot (Tokyo). 1994 Dec;47(12):1385-94. doi: 10.7164/antibiotics.47.1385. [PubMed:7844033 ]
  2. Velazquez-Mujica J, Losco L, Aksoyler D, Chen HC: Perforator-to-perforator anastomosis as a salvage procedure during harvest of a perforator flap. Arch Plast Surg. 2021 Jul;48(4):467-469. doi: 10.5999/aps.2020.02194. Epub 2021 Jul 15. [PubMed:34352962 ]
  3. Santamaria E, Nahas-Combina L, Altamirano-Arcos C, Vargas-Flores E: Seven steps to deliver a low-cost, efficient, and high-impact online plastic surgery course during COVID-19 confinement: master series microsurgery for residents' experience. Arch Plast Surg. 2021 Jul;48(4):462-466. doi: 10.5999/aps.2021.00360. Epub 2021 Jul 15. [PubMed:34352961 ]
  4. Marchesi A, Garieri P, Amendola F, Marcelli S, Vaienti L: Intraoperative near-infrared spectroscopy for pedicled perforator flaps: a possible tool for the early detection of vascular issues. Arch Plast Surg. 2021 Jul;48(4):457-461. doi: 10.5999/aps.2019.00311. Epub 2021 Jul 15. [PubMed:34352960 ]
  5. Oh D, Son D, Kim J, Kwon SY: Freeze-dried bovine amniotic membrane as a cell delivery scaffold in a porcine model of radiation-induced chronic wounds. Arch Plast Surg. 2021 Jul;48(4):448-456. doi: 10.5999/aps.2020.00997. Epub 2021 Jul 15. [PubMed:34352959 ]