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Natural Product (NP) Details

General Information of the NP (ID: NP0982)
Name
Idebenone
Synonyms
idebenone; 58186-27-9; Idebenona; Idebenonum; CV 2619; 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione; CV-2619; UNII-HB6PN45W4J; BRN 2001459; CHEBI:31687; 2-(10-Hydroxydecyl)-5,6-dimethoxy-3-methyl-p-benzoquinone; 2-(10-Hydroxydecyl)-5,6-dimethoxy-3-methyl-1,4-benzoquinone; 6-(10-Hydroxydecyl)-2,3-dimethoxy-5-methyl-1,4-benzoquinone; HB6PN45W4J; Raxone; 5,6-DIMETHOXY-2-(10-HYDROXYDECYL)-3-METHYL-1,4-BENZOQUINONE; 2,5-Cyclohexadiene-1,4-dione, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-; MFCD00274552; NCGC00160514-01; 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylbenzo-1,4-quinone; 2,5-Cyclohexadiene-1,4-dione, 5,6-dimethoxy-2-(10-hydroxydecyl)-3-methyl-; 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-2,5-cyclohexadiene-1,4-dione; 2-(10-hydroxydecyl)-6-methoxy-3-methyl-5-(trideuteriomethoxy)cyclohexa-2,5-diene-1,4-dione; DSSTox_CID_20678; DSSTox_RID_79536; DSSTox_GSID_40678; Idebenonum [Latin]; Idebenona [Spanish]; Idebenone [INN:JAN]; 2,3-dimethoxy-5-methyl-6-(10'-hydroxydecyl)-1,4-benzoquinone; 2,3-Dimethoxy-6-(10-hydroxydecyl)-5-methyl-1,4-benzoquinone; SMR000466364; CAS-58186-27-9; SR-01000759378; Cerestabon; Sovrima; Catena; Mnesis; Avan; Raxone (TN); PubChem13642; SNT-MC17; SCHEMBL28320; Idebenone (JAN/USAN/INN); MLS000759487; MLS001032035; MLS001424002; MLS006011882; Idebenone, analytical standard; CHEMBL252556; QSA-10; DTXSID0040678; Idebenone, >=98% (HPLC); FR114; HMS2051O06; HMS2089D08; HMS3393O06; HMS3656K22; HMS3713A10; HMS3884B12; Pharmakon1600-01505755; ALBB-027258; BCP09116; HY-N0303; STR09227; ZINC1542890; Tox21_111864; BBL025842; BDBM50505498; NSC759228; s2605; STK801942; AKOS005622577; Tox21_111864_1; AC-4337; CCG-100846; KS-5193; MCULE-6391829243; NC00096; NSC 759228; NSC-759228; SB19130; NCGC00160514-02; NCGC00160514-03; AK161748; SY051193; SBI-0207024.P001; AB0010667; DB-053168; FT-0617205; I0848; SW219495-1; A11707; D01750; J10031; M-1155; AB00639997-04; AB00639997-06; AB00639997_07; AB00639997_08; 186I279; A-68500; A831776; Q4197874; SR-01000759378-4; SR-01000759378-5; SR-01000759378-6; BRD-K37516142-001-01-4; 2,3-Dimethoxy-6-(10-hydroxydecyl)-5-methylbenzoquinone; 2,3-Dimethoxy-6-(10-hydroxydecyl)-5-methyl-1,4benzoquinone; 2,3-dimethoxy-5-methyl-6-(10-oxidanyldecyl)cyclohexa-2,5-diene-1,4-dione
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Species Origin Diplocentrus melici ...     Click to Show/Hide
Diplocentrus melici
Kingdom: Metazoa
Phylum: Arthropoda
Class: Arachnida
Order: Scorpiones
Family: Diplocentridae
Genus: Diplocentrus
Species: Diplocentrus melici
Disease Mild neurocognitive disorder [ICD-11: 6D71] Approved [1]
Structure
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2D MOL

3D MOL

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Formula
C19H30O5
PubChem CID
3686
Canonical SMILES
CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCO
InChI
1S/C19H30O5/c1-14-15(12-10-8-6-4-5-7-9-11-13-20)17(22)19(24-3)18(23-2)16(14)21/h20H,4-13H2,1-3H3
InChIKey
JGPMMRGNQUBGND-UHFFFAOYSA-N
CAS Number
CAS 58186-27-9
ChEBI ID
CHEBI:31687
TTD Drug ID
D0MM8N
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP
          Rasagiline      Parkinsonism     Click to Show/Hide the Molecular Data of This Drug
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Molecule(s)
                    Regulation
Up-regulation Expression DICER1  Molecule Info 
Pathway MAP
Up-regulation Expression Lin-28A  Molecule Info 
Pathway MAP
Up-regulation Expression LIN28B  Molecule Info 
Pathway MAP
Down-regulation Expression microRNA let-7a-3  Molecule Info 
Pathway MAP
                    Experimental
                    Result(s)
Combination therapy with rasagiline and idebenone produced a synergistic effect that ameliorated RIR injury, restored visual function and provided neuroprotection.
References
Reference 1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
Reference 2 Synergistic neuroprotective effect of rasagiline and idebenone against retinal ischemia-reperfusion injury via the Lin28-let-7-Dicer pathway. Oncotarget. 2018 Jan 30;9(15):12137-12153.
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Cite NPCDR
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Correspondence

X. N. Sun, Y. T. Zhang, Y. Zhou, X. C. Lian, L. L. Yan, T. Pan, T. Jin, H. Xie, Z. M. Liang, W. Q. Qiu, J. X. Wang, Z. R. Li, F. Zhu*, X. B. Sui*. NPCDR: natural product-based drug combination and its disease-specific molecular regulation. Nucleic Acids Research. 50(D1): 1324-1333 (2020). PMID: 34664659

Prof. Feng ZHU  (zhufeng@zju.edu.cn)

College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, China


Prof. Xinbing SUI  (hzzju@hznu.edu.cn)

School of Pharmacy and Department of Medical Oncology, the Affiliated Hospital of Hangzhou Normal University, Hangzhou Normal University, Hangzhou, China