Dehydrogriseofulvin
PubChem CID
3082005
Structure
Molecular Formula
Synonyms
- Dehydrogriseofulvin
- 3573-90-8
- Amudene
- (-)-Dehydro Griseofulvin
- Dehydro Griseofulvin
Molecular Weight
350.7 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-08-09
- Modify:2025-01-11
Description
Dehydrogriseofulvin is a member of benzofurans.
Dehydrogriseofulvin has been reported in Penicillium concentricum with data available.
Chemical Structure Depiction
(2S)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohexa-2,5-diene]-1',3-dione
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C17H15ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h5-7H,1-4H3/t17-/m0/s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
ISLYVROQSJYFAZ-KRWDZBQOSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC1=CC(=O)C=C([C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C17H15ClO6
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- dehydrogriseofulvin
- dehydrogriseofulvin, (+-)-isomer
- dehydrogriseofulvin, (R)-isomer
- Dehydrogriseofulvin
- 3573-90-8
- Amudene
- (-)-Dehydro Griseofulvin
- Dehydro Griseofulvin
- 2S5ET7TN92
- Griseofulvin, dehydro-
- (2S)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohexa-2,5-diene]-1',3-dione
- UNII-2S5ET7TN92
- (-)-DEHYDROGRISEOFULVIN
- GRISEOFULVIN IMPURITY C [EP IMPURITY]
- Spiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'-methyl-, (S)-
- (1'S)-7-CHLORO-2',4,6-TRIMETHOXY-6'-METHYL-3H-SPIRO(1-BENZOFURAN-2,1'-CYCLOHEXA(2,5)DIENE)-3,4'-DIONE
- SPIRO(BENZOFURAN-2(3H),1'-(2,5)CYCLOHEXADIENE)-3,4'-DIONE, 7-CHLORO-2',4,6-TRIMETHOXY-6'-METHYL-, (1'S)-
- Spiro[benzofuran-2(3H),1'-[2,5]cyclohexadiene]-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'-methyl-
- Spiro[benzofuran-2(3H),1'-[2,5]cyclohexadiene]-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'-methyl-, (S)-
- (?)-dehydro Griseofulvin
- GRISEOFULVIN IMPURITY C (EP IMPURITY)
- (2S)-7-CHLORO-3',4,6-TRIMETHOXY-5'-METHYLSPIRO(1-BENZOFURAN-2,4'-CYCLOHEXA-2,5-DIENE)-1',3-DIONE
- Spiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'-methyl-
- CHEMBL4127442
- CHEBI:81999
- DTXSID00957141
- C18838
- Q27155679
- 7-Chloro-2',4,6-trimethoxy-6'-methyl-3H-spiro[1-benzofuran-2,1'-cyclohexa[2,5]diene]-3,4'-dione
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
350.7 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
1.9
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
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
350.0557159 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
350.0557159 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
71.1 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
24
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
627
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
1
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)
NIST Number
15920
Library
Main library
Total Peaks
58
m/z Top Peak
350
m/z 2nd Highest
197
m/z 3rd Highest
352
Thumbnail
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
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/(-)-Dehydrogriseofulvinhttps://commonchemistry.cas.org/detail?cas_rn=3573-90-8
- ChemIDplusDehydrogriseofulvinhttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0003573908ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox7-Chloro-2',4,6-trimethoxy-6'-methyl-3H-spiro[1-benzofuran-2,1'-cyclohexa[2,5]diene]-3,4'-dionehttps://comptox.epa.gov/dashboard/DTXSID00957141CompTox 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(-)-DEHYDROGRISEOFULVINhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/2S5ET7TN92
- ChEBIDehydrogriseofulvinhttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81999
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/Dehydrogriseofulvinhttps://www.wikidata.org/wiki/Q27155679LOTUS 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)
- KEGGLICENSEAcademic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial licensehttps://www.kegg.jp/kegg/legal.html
- Natural Product Activity and Species Source (NPASS)
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawSpiro[benzofuran-2(3H),1'-[2,5]cyclohexadiene]-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'-methyl-, (S)-http://www.nist.gov/srd/nist1a.cfm
- Rhea - Annotated Reactions DatabaseLICENSERhea has chosen to apply the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/). This means that you are free to copy, distribute, display and make commercial use of the database in all legislations, provided you credit (cite) Rhea.https://www.rhea-db.org/help/license-disclaimer
- WikidataDehydrogriseofulvinhttps://www.wikidata.org/wiki/Q27155679
- 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.htmldehydrogriseofulvinhttps://www.ncbi.nlm.nih.gov/mesh/67046407
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
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