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Record Information
Version1.0
Created at2022-09-12 14:56:20 UTC
Updated at2022-09-12 14:56:20 UTC
NP-MRD IDNP0329996
Secondary Accession NumbersNone
Natural Product Identification
Common Name(1r,2s,3r,8s,10e,14r,15s)-2,3,8-trihydroxy-1,5,10,14-tetramethyl-7,18-dioxatricyclo[13.2.1.0⁴,⁸]octadeca-4,10-dien-6-one
DescriptionPachyclavulariolide L 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. (1r,2s,3r,8s,10e,14r,15s)-2,3,8-trihydroxy-1,5,10,14-tetramethyl-7,18-dioxatricyclo[13.2.1.0⁴,⁸]octadeca-4,10-dien-6-one is found in Briareum violaceum. It was first documented in 2022 (PMID: 36130824). Based on a literature review a significant number of articles have been published on Pachyclavulariolide L (PMID: 36130802) (PMID: 36130682) (PMID: 36130673) (PMID: 36130775) (PMID: 36130713) (PMID: 36130681).
Structure
Thumb
SynonymsNot Available
Chemical FormulaC20H30O6
Average Mass366.4540 Da
Monoisotopic Mass366.20424 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
C[C@@H]1CC\C=C(C)\C[C@]2(O)OC(=O)C(C)=C2[C@@H](O)[C@H](O)[C@@]2(C)CC[C@@H]1O2
InChI Identifier
InChI=1S/C20H30O6/c1-11-6-5-7-12(2)14-8-9-19(4,25-14)17(22)16(21)15-13(3)18(23)26-20(15,24)10-11/h6,12,14,16-17,21-22,24H,5,7-10H2,1-4H3/b11-6+/t12-,14+,16-,17+,19-,20+/m1/s1
InChI KeySHOBJUPZMGAMDM-KPYZOAPTSA-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
Briareum violaceumLOTUS 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
  • 2-furanone
  • Dihydrofuran
  • Oxolane
  • Enoate ester
  • Alpha,beta-unsaturated carboxylic ester
  • Carboxylic acid ester
  • Secondary alcohol
  • 1,2-diol
  • Hemiacetal
  • Lactone
  • Oxacycle
  • Organoheterocyclic compound
  • Carboxylic acid derivative
  • Dialkyl ether
  • Polyol
  • Ether
  • Monocarboxylic acid or derivatives
  • Organic oxygen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Alcohol
  • Organooxygen compound
  • Organic oxide
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic 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
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound101138868
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Ahmad A, Ghufran R: Microbial granules on reactors performance during organic butyrate digestion: clean production. Crit Rev Biotechnol. 2022 Sep 21:1-21. doi: 10.1080/07388551.2022.2103641. [PubMed:36130802 ]
  2. Santos Correa KC, Moreira AC, Abd El-Raheem Ibrahim AG, Ramos de Jesus HC, Micocci KC, Crizostomo Kock FV, Bueno OC, Venancio T, Henrique-Silva F, Souza DHF: Identification and characterization of a recombinant cysteine peptidase (AsCathL) from leaf-cutting ant Atta sexdens Linnaeus, 1758 (Hymenoptera, Formicidae). Protein Expr Purif. 2022 Sep 18;201:106174. doi: 10.1016/j.pep.2022.106174. [PubMed:36130682 ]
  3. Jiang C, Liu F, Yang H, Yang M, Li Z, Han T, Li D, Hua H: Flavonolignans and biflavonoids from Cephalotaxus oliveri exert neuroprotective effect via Nrf2/ARE pathway. Phytochemistry. 2022 Sep 18;204:113436. doi: 10.1016/j.phytochem.2022.113436. [PubMed:36130673 ]
  4. Abid MA, Ahmed S, Muneer S, Khan S, de Oliveira MHS, Kausar R, Siddiqui I: Evaluation of CSF kappa free light chains for the diagnosis of multiple sclerosis (MS): a comparison with oligoclonal bands (OCB) detection via isoelectric focusing (IEF) coupled with immunoblotting. J Clin Pathol. 2022 Sep 21. pii: jcp-2022-208354. doi: 10.1136/jcp-2022-208354. [PubMed:36130824 ]
  5. Wagnew F, Alene KA, Eshetie S, Wingfield T, Kelly M, Gray D: Effects of zinc and vitamin A supplementation on prognostic markers and treatment outcomes of adults with pulmonary tuberculosis: a systematic review and meta-analysis. BMJ Glob Health. 2022 Sep;7(9). pii: bmjgh-2022-008625. doi: 10.1136/bmjgh-2022-008625. [PubMed:36130775 ]
  6. Li J, Yue L, Zhao Q, Cao X, Tang W, Chen F, Wang C, Wang Z: Prediction models on biomass and yield of rice affected by metal (oxide) nanoparticles using nano-specific descriptors. NanoImpact. 2022 Sep 18;28:100429. doi: 10.1016/j.impact.2022.100429. [PubMed:36130713 ]
  7. Wang LG, Omar C, Litster J, Slade D, Li J, Salman A, Bellinghausen S, Barrasso D, Mitchell N: Model driven design for integrated twin screw granulator and fluid bed dryer via flowsheet modelling. Int J Pharm. 2022 Sep 18;628:122186. doi: 10.1016/j.ijpharm.2022.122186. [PubMed:36130681 ]
  8. Thakkar SV, Rodrigues D, Zhai B, Banton D, Somani S, Javidi A, Mahan A, Ember S, DeGrazio D, Ganguly S, Amin K, Nanda H: Residue-Specific Impact of EDTA and Methionine on Protein Oxidation in Biotherapeutics Formulations Using an Integrated Biotherapeutics Drug Product Development Workflow. J Pharm Sci. 2022 Sep 18. pii: S0022-3549(22)00411-7. doi: 10.1016/j.xphs.2022.09.011. [PubMed:36130676 ]
  9. Chi H, Xia B, Shen J, Zhu X, Lu Z, Lu F, Zhu P: Characterization of a novel and glutaminase-free type II L-asparaginase from Corynebacterium glutamicum and its acrylamide alleviation efficiency in potato chips. Int J Biol Macromol. 2022 Nov 30;221:1384-1393. doi: 10.1016/j.ijbiomac.2022.09.162. Epub 2022 Sep 18. [PubMed:36130640 ]
  10. Wang P, Kong X, Ma L, Wang S, Zhang W, Song L, Li H, Wang Y, Han Z: Metal(loid)s removal by zeolite-supported iron particles from mine contaminated groundwater: Performance and mechanistic insights. Environ Pollut. 2022 Nov 15;313:120155. doi: 10.1016/j.envpol.2022.120155. Epub 2022 Sep 18. [PubMed:36130632 ]
  11. LOTUS database [Link]