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Showing NP-Card for Retusin (NP0043959)

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Record Information
Version2.0
Created at2021-06-22 17:42:52 UTC
Updated at2026-02-09 04:01:13 UTC
NP-MRD IDNP0043959
Natural Product DOIhttps://doi.org/10.57994/5880
Secondary Accession NumbersNone
Natural Product Identification
Common NameRetusin
DescriptionRetusin belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Thus, retusin is considered to be a flavonoid. Retusin is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Retusin was first documented in 2017 (PMID: 28572959). Based on a literature review a small amount of articles have been published on Retusin (PMID: 34305198) (PMID: 32148963) (PMID: 28572953).
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0043959 (Retusin)

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3D MOL for NP0043959 (Retusin)

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3D SDF for NP0043959 (Retusin)

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3D-SDF for NP0043959 (Retusin)

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PDB for NP0043959 (Retusin)

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3D PDB for NP0043959 (Retusin)

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SMILES for NP0043959 (Retusin)

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INCHI for NP0043959 (Retusin)

Not Available
View in JSmol
Synonyms
ValueSource
2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-1-benzopyran-4-oneChEBI
3,3',4',7-O-TetramethylquercetinChEBI
3,3',4',7-TetramethylquercetinChEBI
3,7,3',4'-TetramethylquercetinChEBI
Quercetin 3,3',4',7-tetramethyl etherChEBI
Quercetin 3,7,3',4'-tetramethyl etherChEBI
RetusineChEBI
5-Hydroxy-3,7,3',4'-tetramethoxyflavoneHMDB
3,7,3',4'-Tetra-O-methylquercetinHMDB
RetusinChEBI
Chemical FormulaC19H18O7
Average Mass358.3420 Da
Monoisotopic Mass358.10525 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C19H18O7/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)14(7-10)24-3/h5-9,20H,1-4H3
InChI KeyHHGPYJLEJGNWJA-UHFFFAOYSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
Predicted Spectra
Not Available
Chemical Shift Submissions
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 500.0, Chloroform-d, simulated)[email protected]Not AvailableNot Available2026-02-09View Spectrum
1D NMR13C NMR Spectrum (1D, 125.0, Chloroform-d, simulated)[email protected]Not AvailableNot Available2026-02-09View Spectrum
1D NMR13C NMR Spectrum (1D, 125.0, Chloroform-d, simulated)[email protected]Not AvailableNot Available2026-02-09View Spectrum
1D NMR13C NMR Spectrum (1D, 125.0, Chloroform-d, simulated)[email protected]Not AvailableNot Available2026-02-09View Spectrum
Species
Species of Origin
Species NameSourceReference
Artemisia annua
      Not Available
Artemisia annua
      Not Available
Artemisia annua
      Not Available
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassO-methylated flavonoids
Direct Parent7-O-methylated flavonoids
Alternative Parents
Substituents
  • 3p-methoxyflavonoid-skeleton
  • 3-methoxyflavonoid-skeleton
  • 4p-methoxyflavonoid-skeleton
  • 7-methoxyflavonoid-skeleton
  • Hydroxyflavonoid
  • Flavone
  • 5-hydroxyflavonoid
  • 3-methoxychromone
  • Chromone
  • 1-benzopyran
  • Benzopyran
  • Dimethoxybenzene
  • O-dimethoxybenzene
  • Anisole
  • Phenoxy compound
  • Phenol ether
  • Methoxybenzene
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alkyl aryl ether
  • Pyranone
  • Monocyclic benzene moiety
  • Benzenoid
  • Pyran
  • Vinylogous acid
  • Heteroaromatic compound
  • Organoheterocyclic compound
  • Oxacycle
  • Ether
  • Organic oxide
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted PropertiesNot Available
HMDB IDHMDB0257186
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB017112
KNApSAcK IDC00004653
Chemspider ID4508983
KEGG Compound IDNot Available
BioCyc IDCPD-14852
BiGG IDNot Available
Wikipedia LinkRetusin_(flavonol)
METLIN IDNot Available
PubChem Compound5352005
PDB IDNot Available
ChEBI ID144861
Good Scents IDrw1504641
References
General References
  1. Leal CM, Leitao SG, Sausset R, Mendonca SC, Nascimento PHA, de Araujo R Cheohen CF, Esteves MEA, Leal da Silva M, Gondim TS, Monteiro MES, Tucci AR, Fintelman-Rodrigues N, Siqueira MM, Miranda MD, Costa FN, Simas RC, Leitao GG: Flavonoids from Siparuna cristata as Potential Inhibitors of SARS-CoV-2 Replication. Rev Bras Farmacogn. 2021 Jul 20:1-9. doi: 10.1007/s43450-021-00162-5. [PubMed:34305198 ]
  2. Phan MG, Do TVH, Nguyen QB: Methylated Flavonols from Amomum koenigii J.F.Gmel. and Their Antimicrobial and Antioxidant Activities. Biochem Res Int. 2020 Feb 18;2020:4812312. doi: 10.1155/2020/4812312. eCollection 2020. [PubMed:32148963 ]
  3. Ikewuchi CC, Ikewuchi JC, Ifeanacho MO: Bioactive phytochemicals in an aqueous extract of the leaves of Talinum triangulare. Food Sci Nutr. 2016 Dec 2;5(3):696-701. doi: 10.1002/fsn3.449. eCollection 2017 May. [PubMed:28572959 ]
  4. Ifeanacho MO, Ikewuchi CC, Ikewuchi JC: Investigation of the profile of phenolic compounds in the leaves and stems of Pandiaka heudelotii using gas chromatography coupled with flame ionization detector. Food Sci Nutr. 2016 Nov 23;5(3):646-652. doi: 10.1002/fsn3.443. eCollection 2017 May. [PubMed:28572953 ]
  5. Lai-King Sy, Geoffrey D. Brown (1998). Lai-King Sy, Geoffrey D. Brown. Three sesquiterpenes from Artemisia annua. Phytochemistry Volume 48, Issue 7, August 1998, Pages 1207-1211 DOI: 10.1016/S0031-9422(97)01047-9. Phytochemistry.
  6. DOI: 10.1016/s0031-9422(98)00622-0