Compound Summary
Compound Information
DOCEBENONE
Compound Name: | DOCEBENONE |
Compound CID: | 1967 |
Synonyms: | DOCEBENONE aa-861 80809-81-0 Docebenonum Docebenona More... |
Iupac Name: | 2-(12-hydroxydodeca-5,10-diynyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione |
InChI: | InChI=1S/C21H26O3/c1-16-17(2)21(24)19(18(3)20(16)23)14-12-10-8-6-4-5-7-9-11-13-15-22/h22H,5,7-10,12,14-15H2,1-3H3 |
InChIKey: | WDEABJKSGGRCQA-UHFFFAOYSA-N |
Canonical Smiles: | CC1=C(C(=O)C(=C(C1=O)C)CCCCC#CCCCC#CCO)C |
Isomeric Smiles: | CC1=C(C(=O)C(=C(C1=O)C)CCCCC#CCCCC#CCO)C |
Molecular Weight: | 326.4 |
Molecular Formula: | C21H26O3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
DOCEBENONE
Molecular Weight: | 326.4 |
Molecular Formula: | C21H26O3 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 6 |
Heavy Atom Count: | 24 |
Complexity: | 692 |
Synonyms
DOCEBENONE
| DOCEBENONE | DOCEBENONE |
|---|---|
DOCEBENONE |
aa-861 |
80809-81-0 |
Docebenonum |
Docebenona |
AA861 |
2-(12-hydroxydodeca-5,10-diyn-1-yl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione |
UNII-2XRX3BD53M |
AA 861 |
CHEBI:2340 |
2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl-p-benzoquinone |
2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone |
A-61589 |
2XRX3BD53M |
MLS000028467 |
2-(12-hydroxydodeca-5,10-diynyl)-3,5,6-trimethyl-1,4-benzoquinone |
2-(12-hydroxydodeca-5,10-diynyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione |
2,5-Cyclohexadiene-1,4-dione, 2-(12-hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl- |
NCGC00015053-05 |
SMR000058412 |
6-(12-hydroxydodeca-5,10-diyn-1-yl)-2,3,5-trimethyl-1,4-benzoquinone |
DSSTox_CID_25125 |
DSSTox_RID_80689 |
DSSTox_GSID_45125 |
2-(12-Hydroxydodeca-5,10-diynyl)-3,5,6-trimethyl-p-benzoquinone |
2-12-Hydroxydodeca-5,10-diynyl-3,5,6-trimethyl-p-benzoquinone |
Docebenone USAN:INN |
Docebenonum INN-Latin |
Docebenona INN-Spanish |
CAS-80809-81-0 |
A 61589 |
Docebenone (USAN/INN) |
Opera_ID_1818 |
Lopac-A-3711 |
Lopac0_000026 |
BSPBio_001266 |
KBioGR_000606 |
KBioSS_000606 |
SCHEMBL522781 |
DTXSID0045125 |
KBio2_000606 |
KBio2_003174 |
KBio2_005742 |
KBio3_001071 |
KBio3_001072 |
Bio2_000473 |
Bio2_000953 |
HMS1362P07 |
HMS1792P07 |
HMS1990P07 |
HMS2089P21 |
HMS2232L19 |
HMS3260E13 |
HMS3403P07 |
ZINC1529186 |
Tox21_110072 |
Tox21_500026 |
2566AC |
BDBM50103621 |
EI-216 |
LMFA05000652 |
Tox21_110072_1 |
CCG-204122 |
LP00026 |
SDCCGSBI-0050015.P002 |
IDI1_002228 |
NCGC00015053-01 |
NCGC00015053-02 |
NCGC00015053-03 |
NCGC00015053-04 |
NCGC00015053-06 |
NCGC00015053-07 |
NCGC00015053-08 |
NCGC00015053-09 |
NCGC00015053-10 |
NCGC00024221-03 |
NCGC00024221-04 |
NCGC00024221-05 |
NCGC00024221-06 |
NCGC00260711-01 |
HY-12886 |
DB-056462 |
CS-0012749 |
EU-0100026 |
FT-0641779 |
A 3711 |
C01349 |
D03882 |
AB00382986-12 |
SR-01000000084 |
SR-01000000084-2 |
Q27105638 |
2-12-Hydroxydodeca-5,10-diynyl-3,5,6-trimethyl-pbenzoquinone |
Experimental Data
DOCEBENONE
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | -9 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
DOCEBENONE
Statistics Data
DOCEBENONE
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -9 | 1 | 1 |
Statistics Data Visualization
DOCEBENONE
