Homoferreirin
PubChem CID
442788
Structure
Molecular Formula
Synonyms
- Homoferreirin
- 482-01-9
- 3-(2,4-DIMETHOXYPHENYL)-5,7-DIHYDROXY-CHROMAN-4-ONE
- 3-(2,4-dimethoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
- 3-(2,4-Dimethoxyphenyl)-5,7-dihydroxychroman-4-one
Molecular Weight
316.30 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-06-24
- Modify:2025-01-11
Description
Homoferreirin is a dihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5 and 7 and methoxy groups at positions 2' and 4' respectively. It has a role as a plant metabolite. It is a dimethoxyflavanone and a dihydroxyflavanone. It is functionally related to a flavanone.
Homoferreirin has been reported in Ougeinia dalbergioides and Cicer arietinum with data available.
Chemical Structure Depiction
3-(2,4-dimethoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C17H16O6/c1-21-10-3-4-11(14(7-10)22-2)12-8-23-15-6-9(18)5-13(19)16(15)17(12)20/h3-7,12,18-19H,8H2,1-2H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
LMLDNMHDNFCNCW-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
COC1=CC(=C(C=C1)C2COC3=CC(=CC(=C3C2=O)O)O)OC
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C17H16O6
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- Homoferreirin
- 482-01-9
- 3-(2,4-DIMETHOXYPHENYL)-5,7-DIHYDROXY-CHROMAN-4-ONE
- 3-(2,4-dimethoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
- 3-(2,4-Dimethoxyphenyl)-5,7-dihydroxychroman-4-one
- 5,7-dihydroxy-2',4'-dimethoxyisoflavanone
- 3-(2,4-dimethoxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one
- starbld0019167
- CHEBI:5754
- DTXSID50331952
- LMPK12050502
- AKOS030553610
- FS-9424
- XH161798
- Q27106879
- 3-(2,4-dimethoxyphenyl)-5,7-dihydroxy-2,3-dihydro-4H-1-benzopyran-4-one
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
316.30 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
2.9
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
2
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
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
316.09468823 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
316.09468823 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
85.2 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
427
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
1
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
168 - 169 °C
Polyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
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 Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
PubMed Count
Membrane
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=LMLDNMHDNFCNCW-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/(±)-Homoferreirinhttps://commonchemistry.cas.org/detail?cas_rn=482-01-9
- EPA DSSToxHomoferreirinhttps://comptox.epa.gov/dashboard/DTXSID50331952CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- 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/citingHomoferreirinhttp://www.hmdb.ca/metabolites/HMDB0030111
- ChEBI
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/Homoferreirinhttps://www.wikidata.org/wiki/Q27106879LOTUS Treehttps://lotus.naturalproducts.net/
- FooDBLICENSEFooDB 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 (FooDB) and the original publication.https://foodb.ca/aboutHomoferreirinhttps://foodb.ca/compounds/FDB001912
- 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.html
- LIPID MAPSHomoferreirinhttps://lipidmaps.org/databases/lmsd/LMPK12050502Lipid Classificationhttps://www.lipidmaps.org/
- Natural Product Activity and Species Source (NPASS)
- Metabolomics Workbench
- Wikidatahomoferreirinhttps://www.wikidata.org/wiki/Q27106879
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 396366768https://pubchem.ncbi.nlm.nih.gov/substance/396366768
CONTENTS