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Record Information
Version2.0
Created at2022-09-12 03:10:36 UTC
Updated at2022-09-12 03:10:36 UTC
NP-MRD IDNP0323627
Secondary Accession NumbersNone
Natural Product Identification
Common Name(1e,3z,6r,7r)-6-[2-(furan-3-yl)ethyl]-6,7-dimethyl-10-methylidenecyclodeca-1,3-diene-1-carboxylic acid
DescriptionStrictic acid, also known as strictate, belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. (1e,3z,6r,7r)-6-[2-(furan-3-yl)ethyl]-6,7-dimethyl-10-methylidenecyclodeca-1,3-diene-1-carboxylic acid is found in Conyza japonica, Croton megistocarpus, Diplostephium meyenii, Dodonaea viscosa, Grangea maderaspatana, Microglossa pyrifolia, Nidorella ivifolia and Pulicaria glutinosa. (1e,3z,6r,7r)-6-[2-(furan-3-yl)ethyl]-6,7-dimethyl-10-methylidenecyclodeca-1,3-diene-1-carboxylic acid was first documented in 2010 (PMID: 20390737). Based on a literature review a small amount of articles have been published on Strictic acid (PMID: 21630584) (PMID: 26214873) (PMID: 33360008).
Structure
Thumb
Synonyms
ValueSource
StrictateGenerator
Chemical FormulaC20H26O3
Average Mass314.4250 Da
Monoisotopic Mass314.18819 Da
IUPAC Name(1E,3Z,6R,7R)-6-[2-(furan-3-yl)ethyl]-6,7-dimethyl-10-methylidenecyclodeca-1,3-diene-1-carboxylic acid
Traditional Name(1E,3Z,6R,7R)-6-[2-(furan-3-yl)ethyl]-6,7-dimethyl-10-methylidenecyclodeca-1,3-diene-1-carboxylic acid
CAS Registry NumberNot Available
SMILES
C[C@@H]1CCC(=C)\C(=C/C=C\C[C@@]1(C)CCC1=COC=C1)C(O)=O
InChI Identifier
InChI=1S/C20H26O3/c1-15-7-8-16(2)20(3,12-9-17-10-13-23-14-17)11-5-4-6-18(15)19(21)22/h4-6,10,13-14,16H,1,7-9,11-12H2,2-3H3,(H,21,22)/b5-4-,18-6+/t16-,20+/m1/s1
InChI KeyPHJADXZUQNOLEH-VEUUUYJLSA-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
Conyza japonicaLOTUS Database
Croton megistocarpusLOTUS Database
Diplostephium meyeniiLOTUS Database
Dodonaea viscosaLOTUS Database
Grangea maderaspatanaLOTUS Database
Microglossa pyrifoliaLOTUS Database
Nidorella ivifoliaLOTUS Database
Pulicaria glutinosaLOTUS Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassHeteroaromatic compounds
Sub ClassNot Available
Direct ParentHeteroaromatic compounds
Alternative Parents
Substituents
  • Heteroaromatic compound
  • Furan
  • Oxacycle
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • 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
logP5.13ChemAxon
pKa (Strongest Acidic)4.86ChemAxon
pKa (Strongest Basic)-2.8ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area50.44 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity93.95 m³·mol⁻¹ChemAxon
Polarizability35.82 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID4579963
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5469447
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Arciniegas A, Polindara LA, Perez-Castorena AL, Garcia AM, Avila G, Villasenor JL, de Vivar AR: Chemical composition and biological activity of Laennecia schiedeana. Z Naturforsch C J Biosci. 2011 Mar-Apr;66(3-4):115-22. doi: 10.1515/znc-2011-3-404. [PubMed:21630584 ]
  2. Wang GK, Liu JS, Zhang CE, Wang Z, Cai BX, Wang G: [Study on Chemical Constituents of Kalimeris indica]. Zhong Yao Cai. 2015 Jan;38(1):81-4. [PubMed:26214873 ]
  3. Lei C, Wang XH, Liu YN, Zhao T, Hu Z, Li JY, Hou AJ: Clerodane diterpenoids from Dodonaea viscosa and their inhibitory effects on ATP citrate lyase. Phytochemistry. 2021 Mar;183:112614. doi: 10.1016/j.phytochem.2020.112614. Epub 2020 Dec 22. [PubMed:33360008 ]
  4. Niu HM, Zeng DQ, Long CL, Peng YH, Wang YH, Luo JF, Wang HS, Shi YN, Tang GH, Zhao FW: Clerodane diterpenoids and prenylated flavonoids from Dodonaea viscosa. J Asian Nat Prod Res. 2010 Jan;12(1):7-14. doi: 10.1080/10286020903407379. [PubMed:20390737 ]
  5. LOTUS database [Link]