Lunatin
PubChem CID
636723
Structure
Molecular Formula
Synonyms
- Lunatin
- 1,3,8-trihydroxy-6-methoxyanthracene-9,10-dione
- 1,3,8-trihydroxy-6-methoxyanthraquinone
- 1,3,8-trihydroxy-6-methoxy-anthraquinone
- 1,3,8-trihydroxy-6-methoxyanthra-9,10-quinone
Molecular Weight
286.24 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2006-01-25
- Modify:2025-02-01
Description
1,3,8-Trihydroxy-6-methoxyanthraquinone is a member of hydroxyanthraquinones.
Lunatin has been reported in Cladosporium herbarum and Curvularia lunata with data available.
Chemical Structure Depiction
1,3,8-trihydroxy-6-methoxyanthracene-9,10-dione
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C15H10O6/c1-21-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-6(16)3-10(12)17/h2-5,16-18H,1H3
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
DGZZHABEBFUFSC-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
COC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C15H10O6
Computed by PubChem 2.1 (PubChem release 2019.06.18)
- 1,3,8-trihydroxy-6-methoxyanthraquinone
- lunatin
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
286.24 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
2.3
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
3
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
1
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
286.04773803 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
286.04773803 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
104 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
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
449
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
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 2019.01.04)
1D NMR Spectra
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
PubMed Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=DGZZHABEBFUFSC-UHFFFAOYSA-N
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- ChEBI1,3,8-Trihydroxy-6-methoxyanthraquinonehttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:206346
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/LOTUS 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
- EPA DSSToxCompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Japan Chemical Substance Dictionary (Nikkaji)
- Natural Product Activity and Species Source (NPASS)
- The Natural Products AtlasLICENSEThe Natural Products Atlas is licensed under a Creative Commons Attribution 4.0 International License.https://www.npatlas.org/terms1,3,8-Trihydroxy-6-methoxyanthraquinonehttps://www.npatlas.org/explore/compounds/NPA008988The Natural Products Atlas Classificationhttps://www.npatlas.org/
- Metabolomics Workbench
- NMRShiftDB
- SpectraBaseDGZZHABEBFUFSC-UHFFFAOYSA-Nhttps://spectrabase.com/spectrum/7unmHGFYSDn
- Springer Nature
- Wikidata
- Wikipedia
- 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.html1,3,8-trihydroxy-6-methoxyanthraquinonehttps://www.ncbi.nlm.nih.gov/mesh/67460121
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 393963465https://pubchem.ncbi.nlm.nih.gov/substance/393963465
CONTENTS