IUPAC name
2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
SMILES
COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O
Compound class
Nervous System; Psychoanaleptics; Psychostimulants, Agents Used for Adhd and Nootropics;
Therapeutic area
Common name
Idebenone
IUPAC name
2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
SMILES
COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O
INCHI
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
FORMULA
C19H30O5
Common name
Idebenone
IUPAC name
2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
Molecular weight
338.439
clogP
4.808
clogS
-5.349
HBond Acceptor
5
HBond Donor
1
Total Polar Surface Area
72.83
Number of Rings
1
Rotatable Bond
12
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00018 | propan-1-ol |
|
C(O)CC | 0.0330 |
| FDBF00019 | (E)-hex-2-ene |
|
CC=CCCC | 0.0014 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF00081 | pentane |
|
CCCCC | 0.0316 |
| FDBF00086 | hexane |
|
CCCCCC | 0.0151 |
| FDBF00122 | (E)-pent-2-ene |
|
C(=CCC)C | 0.0024 |
| FDBF00795 | pentan-1-ol |
|
OCCCCC | 0.0038 |
| FDBF03149 | (E)-hept-2-ene |
|
C(C=CC)CCC | 0.0010 |
12 ,
2
