Phyto4Health

Coenzyme Q9

Representations & DB's id

ChEBI: CHEBI:18160
ChEMBL: CHEMBL2252965
PubChem: 5280473
IUPAC: 2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]cyclohexa-2,5-diene-1,4-dione
Standard InChI: InChI=1S/C54H82O4/c1-40(2)22-14-23-41(3)24-15-25-42(4)26-16-27-43(5)28-17-29-44(6)30-18-31-45(7)32-19-33-46(8)34-20-35-47(9)36-21-37-48(10)38-39-50-49(11)51(55)53(57-12)54(58-13)52(50)56/h22,24,26,28,30,32,34,36,38H,14-21,23,25,27,29,31,33,35,37,39H2,1-13H3/b41-24+,42-26+,43-28+,44-30+,45-32+,46-34+,47-36+,48-38+
Standard InChI Key: UUGXJSBPSRROMU-WJNLUYJISA-N
SMILES: COC1=C(OC)C(=O)C(=C(C1=O)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)C)C)C)C)C)C)C)C)C

Molecular propeties

AlogP: 16.13
Hydrogen bonds acceptors: 4
Hydrogen bonds donors: 0
Rotatable bonds: 28
Number of rings: 1
Molecular Weight: 794.62
Topological polar surface area: 52.6
Number of aromatic rings: 0
Fsp3: 0.519
Number of carbons: 54

Plant sources

Part of plant Plant name Ref.
PlantRhodiola rosea

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.