Show more...
Record Information
Version2.0
Created at2021-01-06 02:25:39 UTC
Updated at2021-07-15 17:26:22 UTC
NP-MRD IDNP0017763
Secondary Accession NumbersNone
Natural Product Identification
Common NameFluostatin N
Provided ByNPAtlasNPAtlas Logo
Description Fluostatin N is found in Streptomyces. Based on a literature review very few articles have been published on (3R,4R,5R,6S)-3,4,6,9-tetrahydroxy-12-methoxy-5-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]Heptadeca-1,7,9,11(16),12,14-hexaen-17-one.
Structure
Data?1624506497
SynonymsNot Available
Chemical FormulaC19H18O6
Average Mass342.3470 Da
Monoisotopic Mass342.11034 Da
IUPAC Name(3R,4R,5R,6S)-3,4,6,9-tetrahydroxy-12-methoxy-5-methyltetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1,7,9,11(16),12,14-hexaen-17-one
Traditional Name(3R,4R,5R,6S)-3,4,6,9-tetrahydroxy-12-methoxy-5-methyltetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1,7,9,11(16),12,14-hexaen-17-one
CAS Registry NumberNot Available
SMILES
COC1=CC=CC2=C1C1=C(O)C=C3[C@@H](O)[C@@H](C)[C@@H](O)[C@H](O)C3=C1C2=O
InChI Identifier
InChI=1S/C19H18O6/c1-7-16(21)9-6-10(20)14-12-8(4-3-5-11(12)25-2)18(23)15(14)13(9)19(24)17(7)22/h3-7,16-17,19-22,24H,1-2H3/t7-,16+,17-,19-/m1/s1
InChI KeyRJFZDOXRXVVKBY-RPKRUUSYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
StreptomycesNPAtlas
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
logP1.53ALOGPS
logP0.97ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)8.15ChemAxon
pKa (Strongest Basic)-3.3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area107.22 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity90.4 m³·mol⁻¹ChemAxon
Polarizability35.53 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
NPAtlas IDNPA023301
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID65321334
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound139590585
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References