Cusparine
PubChem CID
442893
Structure
Molecular Formula
Synonyms
- Cusparine
- Cusparine [MI]
- 529-92-0
- UNII-2O6Z9S15DF
- 2O6Z9S15DF
Molecular Weight
307.3 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-06-24
- Modify:2025-01-11
Description
Cusparine is a member of quinolines.
Chemical Structure Depiction
2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxyquinoline
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C19H17NO3/c1-21-18-11-14(20-16-5-3-2-4-15(16)18)8-6-13-7-9-17-19(10-13)23-12-22-17/h2-5,7,9-11H,6,8,12H2,1H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
RIXOVHWIYRZQDC-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
COC1=CC(=NC2=CC=CC=C21)CCC3=CC4=C(C=C3)OCO4
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C19H17NO3
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- Cusparine
- Cusparine [MI]
- 529-92-0
- UNII-2O6Z9S15DF
- 2O6Z9S15DF
- 4-Methoxy-2-(3,4-methylenedioxyphenethyl)quinoline
- 2-(2-(1,3-Benzodioxol-5-yl)ethyl)-4-methoxyquinoline
- Quinoline, 2-(2-(1,3-benzodioxol-5-yl)ethyl)-4-methoxy-
- 2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxyquinoline
- CHEBI:3964
- CHEMBL456954
- DTXSID70331994
- C10655
- AKOS000277515
- 2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-quinoline
- AC1L9DLB
- 2-(2-(1,3-benzodioxol-5-yl)ethyl)-4-methoxy-quinoline
- SureCN952682
- SCHEMBL952682
- DTXCID50283088
- Q5795071
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
307.3 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
4.2
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
307.12084340 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
307.12084340 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
40.6 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
23
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
391
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/2-[2-(1,3-Benzodioxol-5-yl)ethyl]-4-methoxyquinolinehttps://commonchemistry.cas.org/detail?cas_rn=529-92-0
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxCompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking
- ChEBI
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- Japan Chemical Substance Dictionary (Nikkaji)
- KEGGLICENSEAcademic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial licensehttps://www.kegg.jp/kegg/legal.htmlPhytochemical compoundshttp://www.genome.jp/kegg-bin/get_htext?br08003.keg
- KNApSAcK Species-Metabolite Database
- Natural Product Activity and Species Source (NPASS)
- Metabolomics Workbench
- SpectraBaseCUSPARINE;2-(3',4'-METHYLENEDIOXYPHENYLETHYL)-4-METHOXYQUINOLINEhttps://spectrabase.com/spectrum/Bsg5gC55PQc2-Homopiperonyl-4-methoxy-quinolinehttps://spectrabase.com/spectrum/BzIaNvKiqEx
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- Wikidata
- PubChem
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/LOTUS Treehttps://lotus.naturalproducts.net/
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
CONTENTS