EcoDrugPlus


Synonyms	Mitoq10 Mitoquinol Mitoquinol cation
Status
Molecule Category	Free-form
UNII	65M41NIO61

Synonyms

Mitoq10

Mitoquinol

Mitoquinol cation

Status

Molecule Category

Free-form

UNII

65M41NIO61


InChI Key	SIRZPOBKMRMKDI-UHFFFAOYSA-O
Smiles	COc1c(O)c(C)c(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(O)c1OC
InChI	InChI=1S/C37H45O4P/c1-29-33(35(39)37(41-3)36(40-2)34(29)38)27-19-8-6-4-5-7-9-20-28-42(30-21-13-10-14-22-30,31-23-15-11-16-24-31)32-25-17-12-18-26-32/h10-18,21-26H,4-9,19-20,27-28H2,1-3H3,(H-,38,39)/p+1

InChI Key

SIRZPOBKMRMKDI-UHFFFAOYSA-O

Smiles

COc1c(O)c(C)c(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(O)c1OC

InChI

InChI=1S/C37H45O4P/c1-29-33(35(39)37(41-3)36(40-2)34(29)38)27-19-8-6-4-5-7-9-20-28-42(30-21-13-10-14-22-30,31-23-15-11-16-24-31)32-25-17-12-18-26-32/h10-18,21-26H,4-9,19-20,27-28H2,1-3H3,(H-,38,39)/p+1

Property Name	Value
Molecular Formula	C37H46O4P+
Molecular Weight	585.75
AlogP	8.08
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	16.0
Polar Surface Area	58.92
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	42.0

Property Name

Value

Molecular Formula

C37H46O4P+

Molecular Weight

585.75

AlogP

8.08

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

16.0

Polar Surface Area

58.92

Molecular species

NEUTRAL

Aromatic Rings

4.0

Heavy Atoms

42.0

Resources	Reference
ChEMBL	CHEMBL4594414
FDA SRS	65M41NIO61
PubChem	9917765
ZINC	ZINC000059745851

Resources

Reference

ChEMBL

FDA SRS

PubChem

ZINC

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

MITOQUINOL CATION

Structure

Physicochemical Descriptors

Cross References