Np mrd loader

Record Information
Version2.0
Created at2022-09-05 11:52:18 UTC
Updated at2022-09-05 11:52:18 UTC
NP-MRD IDNP0213023
Secondary Accession NumbersNone
Natural Product Identification
Common Namefilipin iii
DescriptionFilipin III, also known as filimarisin or 14-deoxylagosin, belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. Filipin III is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. filipin iii is found in Streptomyces avermitilis, Streptomyces filipinensis and Streptomyces miharaensis. filipin iii was first documented in 2021 (PMID: 34361779). Based on a literature review a small amount of articles have been published on filipin III (PMID: 35892953) (PMID: 35678098) (PMID: 35204701) (PMID: 34562242).
Structure
Thumb
Synonyms
ValueSource
14-DeoxylagosinChEBI
FilimarisinChEBI
FilipinChEBI
FilipinaChEBI
FilipineChEBI
FilipinumChEBI
Filipin IVMeSH
Filipin IMeSH
Filipin IIMeSH
DesoxylagosinMeSH
Chemical FormulaC35H58O11
Average Mass654.8380 Da
Monoisotopic Mass654.39791 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
CCCCC[C@@H](O)[C@@H]1[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@H](O)\C(C)=C\C=C\C=C\C=C\C=C\[C@H](O)[C@@H](C)OC1=O
InChI Identifier
InChI=1S/C35H58O11/c1-4-5-11-16-31(42)34-33(44)22-29(40)20-27(38)18-25(36)17-26(37)19-28(39)21-32(43)23(2)14-12-9-7-6-8-10-13-15-30(41)24(3)46-35(34)45/h6-10,12-15,24-34,36-44H,4-5,11,16-22H2,1-3H3/b7-6+,10-8+,12-9+,15-13+,23-14+/t24-,25+,26-,27+,28-,29+,30+,31-,32+,33+,34-/m1/s1
InChI KeyIMQSIXYSKPIGPD-YQRUMEKGSA-N
Experimental Spectra
Not Available
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 25 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 100 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 252 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 1000 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 50 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 200 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 75 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 300 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 101 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 176 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 226 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 900 MHz, H2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Streptomyces avermitilisLOTUS Database
Streptomyces filipinensisLOTUS Database
Streptomyces miharaensisLOTUS Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassMacrolides and analogues
Sub ClassNot Available
Direct ParentMacrolides and analogues
Alternative Parents
Substituents
  • Macrolide
  • Fatty alcohol
  • Fatty acyl
  • Carboxylic acid ester
  • Lactone
  • Secondary alcohol
  • Polyol
  • Monocarboxylic acid or derivatives
  • Carboxylic acid derivative
  • Organoheterocyclic compound
  • Oxacycle
  • Carbonyl group
  • Organooxygen compound
  • Organic oxide
  • Organic oxygen compound
  • Alcohol
  • Hydrocarbon derivative
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
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
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDC00018791
Chemspider ID4938377
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound6433194
PDB IDNot Available
ChEBI ID83267
Good Scents IDNot Available
References
General References
  1. Zuniga R, Mancilla D, Rojas T, Vergara F, Gonzalez W, Catalan MA, Zuniga L: A Direct Interaction between Cyclodextrins and TASK Channels Decreases the Leak Current in Cerebellar Granule Neurons. Biology (Basel). 2022 Jul 23;11(8):1097. doi: 10.3390/biology11081097. [PubMed:35892953 ]
  2. Li L, Liu Y, Liu X, Zheng N, Gu Y, Song Y, Wang X: Regulatory roles of external cholesterol in human airway epithelial mitochondrial function through STARD3 signalling. Clin Transl Med. 2022 Jun;12(6):e902. doi: 10.1002/ctm2.902. [PubMed:35678098 ]
  3. Pavlik V, Machalova V, Cepa M, Sinova R, Safrankova B, Kulhanek J, Drmota T, Kubala L, Huerta-Angeles G, Velebny V, Nesporova K: Retinoic Acid Grafted to Hyaluronic Acid Activates Retinoid Gene Expression and Removes Cholesterol from Cellular Membranes. Biomolecules. 2022 Jan 25;12(2):200. doi: 10.3390/biom12020200. [PubMed:35204701 ]
  4. Miyamoto T, Hosoba K, Akutsu SN, Matsuura S: Imaging of the Ciliary Cholesterol Underlying the Sonic Hedgehog Signal Transduction. Methods Mol Biol. 2022;2374:49-57. doi: 10.1007/978-1-0716-1701-4_5. [PubMed:34562242 ]
  5. Maddila SC, Voshavar C, Arjunan P, Chowath RP, Rachamalla HKR, Balakrishnan B, Balasubramanian P, Banerjee R, Marepally S: Cholesterol Sequestration from Caveolae/Lipid Rafts Enhances Cationic Liposome-Mediated Nucleic Acid Delivery into Endothelial Cells. Molecules. 2021 Jul 30;26(15):4626. doi: 10.3390/molecules26154626. [PubMed:34361779 ]
  6. LOTUS database [Link]