5-Methoxycanthin-6-one
PubChem CID
259218
Structure
Molecular Formula
Synonyms
- 5-Methoxycanthin-6-one
- 15071-56-4
- 5-Methoxycanthinone
- 5-Methoxy-Canthin-6-one
- UNII-VVM1A8LM35
Molecular Weight
250.25 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-26
- Modify:2025-01-11
Description
5-Methoxycanthin-6-one is an alkaloid and an organic heterotetracyclic compound.
5-Methoxycanthin-6-one has been reported in Leitneria floridana, Fagaropsis angolensis, and other organisms with data available.
Chemical Structure Depiction
CCDC Number
Associated Article
Crystal Structure Data
3-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C15H10N2O2/c1-19-13-8-11-14-10(6-7-16-11)9-4-2-3-5-12(9)17(14)15(13)18/h2-8H,1H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
TXEFUSAHPIYZHD-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
COC1=CC2=NC=CC3=C2N(C1=O)C4=CC=CC=C34
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C15H10N2O2
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- 5-methoxy-canthin-6-one
- 5-methoxycanthin-6-one
- 5-Methoxycanthin-6-one
- 15071-56-4
- 5-Methoxycanthinone
- 5-Methoxy-Canthin-6-one
- UNII-VVM1A8LM35
- VVM1A8LM35
- 6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one, 5-methoxy-
- METHOXYCANTHIN-6-ONE,5-
- NSC88929
- 3-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
- Canthin-6-one, 5-methoxy-
- 5-Methoxy-6H-indolo(3,2,1-de)(1,5)naphthyridin-6-one
- 5-Methoxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one
- 6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 5-methoxy-
- NSC 88929
- NSC-88929
- Methoxycanthinone, 5-
- CHEMBL508649
- DTXSID6074544
- SCHEMBL12762810
- CHEBI:174289
- TXEFUSAHPIYZHD-UHFFFAOYSA-N
- BDBM50067500
- AKOS040761180
- DA-70231
- PD130606
- NS00125538
- Q27292037
- 5-Methoxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one, 9CI
- 3-methoxy-1,6-diazatetracyclo[7.6.1.0?,??.0??,??]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
- 3-methoxy-1,6-diazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
250.25 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
2.6
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
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
250.074227566 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
250.074227566 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
44.1 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
19
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
434
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)
Solid
243 - 244 °C
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.
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
Membrane
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=TXEFUSAHPIYZHD-UHFFFAOYSA-N
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/4.0/5-Methoxycanthin-6-onehttps://commonchemistry.cas.org/detail?cas_rn=15071-56-4
- ChemIDplus5-Methoxycanthin-6-onehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0015071564ChemIDplus 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-reuseCanthin-6-one, 5-methoxy-https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=88929
- EPA DSSTox5-Methoxycanthin-6-onehttps://comptox.epa.gov/dashboard/DTXSID6074544CompTox 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#linking5-METHOXYCANTHIN-6-ONEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/VVM1A8LM35
- Human Metabolome Database (HMDB)LICENSEHMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.http://www.hmdb.ca/citing5-Methoxycanthin-6-onehttp://www.hmdb.ca/metabolites/HMDB0030227
- ChEBI5-Methoxycanthin-6-onehttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:174289
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/5-Methoxycanthin-6-onehttps://www.wikidata.org/wiki/Q27292037LOTUS Treehttps://lotus.naturalproducts.net/
- 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.htmlChEMBL Protein Target Treehttps://www.ebi.ac.uk/chembl/g/#browse/targets
- Drug Gene Interaction database (DGIdb)LICENSEThe data used in DGIdb is all open access and where possible made available as raw data dumps in the downloads section.http://www.dgidb.org/downloads5-METHOXYCANTHINONEhttps://www.dgidb.org/drugs/chembl:CHEMBL508649
- Japan Chemical Substance Dictionary (Nikkaji)
- KNApSAcK Species-Metabolite Database5-Methoxycanthin-6-onehttp://www.knapsackfamily.com/knapsack_core/info.php?sname=C_ID&word=C00042154
- Natural Product Activity and Species Source (NPASS)5-Methoxycanthinonehttps://bidd.group/NPASS/compound.php?compoundID=NPC12649
- Metabolomics Workbench5-Methoxycanthin-6-onehttps://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=44269
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law5-Methoxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-onehttp://www.nist.gov/srd/nist1a.cfm
- SpectraBaseCanthin-6-one, 5-methoxy-https://spectrabase.com/spectrum/EpfQ9UB1e4L
- The Cambridge Structural Database
- Wikidata5-methoxycanthin-6-onehttps://www.wikidata.org/wiki/Q27292037
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.html5-methoxycanthin-6-onehttps://www.ncbi.nlm.nih.gov/mesh/67468517
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- EPA Substance Registry ServicesEPA SRS List Classificationhttps://sor.epa.gov/sor_internet/registry/substreg/LandingPage.do
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 392535281https://pubchem.ncbi.nlm.nih.gov/substance/392535281
CONTENTS