Substance Information
In ZINC since |
Heavy atoms |
Benign functionality |
October 6th, 2004 |
24 |
No
|
Other Names:
2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone; 2,5-Cyclohexadiene-1,4-dione, 2-(12-hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl-; 2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl-p-benzoquinone; A 61589; AA 861; AA-861; AA861; C21H26O3
2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone; 2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl-p-benzoquinone; 2-(12-hydroxydodeca-5,10-diynyl)-3,5,6-trimethyl-1,4-benzoquinone; 6-(12-hydroxydodeca-5,10-diyn-1-yl)-2,3,5-trimethyl-1,4-
80809-81-0; AA861; C01349; Docebenone
80809-81-0; D03882; Docebenone (USAN/INN)
A-61589
A-61589; AA-861
AA-861
docebenona; docebenone; docebenonum
Docebenone (INN
USAN)
Download:
MOL2
SDF
SMILES
Flexibase
Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
4.69 |
1.88 |
-12.03 |
1 |
3 |
0 |
54 |
326.436 |
6 |
↓
|
Vendor Notes
Note Type |
Comments |
Provided By |
Patent Database Links |
EP1707216; EP1769797 |
ChEBI |
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
Synthesis of 5-eicosatetraenoic acids |
|
Synthesis of Leukotrienes (LT) and Eoxins (EX) |
|
Synthesis of Lipoxins (LX) |
|
No pre-computed analogs available. Try a structural similarity search.