Acronycidine
PubChem CID
95708
Structure
Molecular Formula
Synonyms
- Acronycidine
- 521-43-7
- 4,5,7,8-tetramethoxyfuro[2,3-b]quinoline
- 5,7,8-Trimethoxydictamnine
- Furo(2,3-b)quinoline, 4,5,7,8-tetramethoxy-
Molecular Weight
289.28 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2004-09-16
- Modify:2024-12-28
Description
Acronycidine is a quinoline alkaloid that is furo[2,3-b]quinoline bearing four methoxy substituents at positions 4, 5, 7 and 8. It has a role as a plant metabolite. It is a quinoline alkaloid, an aromatic ether and a furoquinoline.
Acronycidine has been reported in Sarcomelicope argyrophylla and Medicosma fareana with data available.
Chemical Structure Depiction
4,5,7,8-tetramethoxyfuro[2,3-b]quinoline
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C15H15NO5/c1-17-9-7-10(18-2)14(20-4)12-11(9)13(19-3)8-5-6-21-15(8)16-12/h5-7H,1-4H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
XTCGYRFLVLFRGW-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
COC1=CC(=C(C2=C1C(=C3C=COC3=N2)OC)OC)OC
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
C15H15NO5
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- Acronycidine
- 521-43-7
- 4,5,7,8-tetramethoxyfuro[2,3-b]quinoline
- 5,7,8-Trimethoxydictamnine
- Furo(2,3-b)quinoline, 4,5,7,8-tetramethoxy-
- BRN 0302664
- 4,5,7,8-Tetramethoxyfuro(2,3-b)quinoline
- CHEBI:2436
- 4,5,7,8-tetramethoxy-furo[2,3-b]quinoline
- C15H15NO5
- DTXSID10200099
- 4-27-00-02314 (Beilstein Handbook Reference)
- NSC 30619
- Furo[2,3-b]quinoline, 4,5,7,8-tetramethoxy-
- Trimethoxydictamnine, 5,7,8-
- DTXCID60122590
- NSC30619
- NSC-30619
- AKOS040754652
- PD151306
- Q27105666
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
289.28 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
2.8
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
6
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
289.09502258 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
289.09502258 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
63Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
21
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
355
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.
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- 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/4.0/4,5,7,8-Tetramethoxyfuro[2,3-b]quinolinehttps://commonchemistry.cas.org/detail?cas_rn=521-43-7
- ChemIDplusFuro(2,3-b)quinoline, 4,5,7,8-tetramethoxy-https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0000521437ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuse
- EPA DSSToxFuro(2,3-b)quinoline, 4,5,7,8-tetramethoxy-https://comptox.epa.gov/dashboard/DTXSID10200099CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- ChEBI
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/Acronycidinehttps://www.wikidata.org/wiki/Q27105666LOTUS Treehttps://lotus.naturalproducts.net/
- 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
- SpringerMaterials
- 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/
- Wikidataacronycidinehttps://www.wikidata.org/wiki/Q27105666
- PubChem
- EPA Substance Registry ServicesEPA SRS List Classificationhttps://sor.epa.gov/sor_internet/registry/substreg/LandingPage.do
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
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