7-Hydroxy-2,5-dimethyl-4H-1-benzopyran-4-one
PubChem CID
5316891
Structure
Molecular Formula
Synonyms
- Altechromone A
- 38412-47-4
- 7-Hydroxy-2,5-dimethyl-4H-1-benzopyran-4-one
- 7-hydroxy-2,5-dimethylchromen-4-one
- 2,5Dimethyl7hydroxy chromone
Molecular Weight
190.19 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-27
- Modify:2025-01-18
Description
7-Hydroxy-2,5-dimethyl-4H-1-benzopyran-4-one is a member of chromones.
7-Hydroxy-2,5-dimethyl-4H-1-benzopyran-4-one has been reported in Annulohypoxylon truncatum, Talaromyces flavus, and other organisms with data available.
Chemical Structure Depiction
7-hydroxy-2,5-dimethylchromen-4-one
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C11H10O3/c1-6-3-8(12)5-10-11(6)9(13)4-7(2)14-10/h3-5,12H,1-2H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CRNGFKXWIYTEPH-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC1=CC(=CC2=C1C(=O)C=C(O2)C)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C11H10O3
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- 7-hydroxy-2,5-dimethylchromone
- altechromone A
- Altechromone A
- 38412-47-4
- 7-Hydroxy-2,5-dimethyl-4H-1-benzopyran-4-one
- 7-hydroxy-2,5-dimethylchromen-4-one
- 2,5Dimethyl7hydroxy chromone
- 4H-1-Benzopyran-4-one, 7-hydroxy-2,5-dimethyl-
- 7-Hydroxy-2,5-dimethyl-4H-chromen-4-one
- 2,5-dimethyl-7-hydroxychromone
- 7-hydroxy-2,5-dimethylchromone
- 68L85KAC8Q
- CHEMBL509319
- SCHEMBL18096537
- DTXSID20415713
- 2,5-Dimethyl-7-hydroxychromenone
- CHEBI:173911
- CRNGFKXWIYTEPH-UHFFFAOYSA-N
- 7-Hydroxy-2,5-dimethyl-4H-chromone
- AKOS022643238
- 2,5-Dimethyl-7-oxidanyl-chromen-4-one
- DA-60956
- HY-134241
- CS-0140509
- 7-Hydroxy-2,5-dimethyl-4H-chromen-4-one #
- Q4736228
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
190.19 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
1.9
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
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
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
190.062994177 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
190.062994177 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
46.5 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
14
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
282
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
258 - 260 °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
- Cytoplasm
- Extracellular
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=CRNGFKXWIYTEPH-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/4.0/2,5-Dimethyl-7-hydroxychromonehttps://commonchemistry.cas.org/detail?cas_rn=38412-47-4
- EPA DSSToxAltechromone Ahttps://comptox.epa.gov/dashboard/DTXSID20415713CompTox 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
- 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/citing7-Hydroxy-2,5-dimethyl-4H-1-benzopyran-4-onehttp://www.hmdb.ca/metabolites/HMDB0040326
- ChEBI7-Hydroxy-2,5-dimethyl-4H-1-benzopyran-4-onehttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:173911
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/7-Hydroxy-2,5-dimethyl-4H-1-benzopyran-4-onehttps://www.wikidata.org/wiki/Q4736228LOTUS 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.html
- Japan Chemical Substance Dictionary (Nikkaji)
- KNApSAcK Species-Metabolite Database2,5-Dimethyl-7-hydroxychromonehttp://www.knapsackfamily.com/knapsack_core/info.php?sname=C_ID&word=C00038203
- Natural Product Activity and Species Source (NPASS)2,5-Dimethyl-7-Hydroxychromonehttps://bidd.group/NPASS/compound.php?compoundID=NPC242712
- Metabolomics Workbench7-Hydroxy-2,5-dimethyl-4H-1-benzopyran-4-onehttps://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=48989
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law4H-1-Benzopyran-4-one, 7-hydroxy-2,5-dimethyl-http://www.nist.gov/srd/nist1a.cfm
- SpectraBaseAltechromone Ahttps://spectrabase.com/spectrum/GtNTVYOugqq2,5-Dimethyl-7-hydroxychromonehttps://spectrabase.com/spectrum/3oPiIEg9MSO7-HYDROXY-2,5-DIMETHYLCHROMONE;7-HYDROXY-2,5-DIMETHYL-4H-BENZOPYRAN-4-ONEhttps://spectrabase.com/spectrum/CQsdRwOTHDf2,5-DIMETHYL-CHROMONEhttps://spectrabase.com/spectrum/CyTw3UVzZ3p
- Springer Nature
- Wikidataaltechromone Ahttps://www.wikidata.org/wiki/Q4736228
- WikipediaAltechromone Ahttps://en.wikipedia.org/wiki/Altechromone_A
- 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.htmlaltechromone Ahttps://www.ncbi.nlm.nih.gov/mesh/67555186
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 389635025https://pubchem.ncbi.nlm.nih.gov/substance/389635025
CONTENTS