EcoDrugPlus


Synonyms	Antroquinonol Antroquinonol a Hocena J3.387.174K
Status
Molecule Category	Free-form
UNII	AX9P92T7JZ

Synonyms

Antroquinonol

Antroquinonol a

Hocena

J3.387.174K

Status

Molecule Category

Free-form

UNII

AX9P92T7JZ


InChI Key	LJTSIMVOOOLKOL-FNRDIUJOSA-N
Smiles	COC1=C(OC)[C@H](O)[C@H](C/C=C(\C)CC/C=C(\C)CCC=C(C)C)[C@@H](C)C1=O
InChI	InChI=1S/C24H38O4/c1-16(2)10-8-11-17(3)12-9-13-18(4)14-15-20-19(5)21(25)23(27-6)24(28-7)22(20)26/h10,12,14,19-20,22,26H,8-9,11,13,15H2,1-7H3/b17-12+,18-14+/t19-,20-,22-/m1/s1

InChI Key

LJTSIMVOOOLKOL-FNRDIUJOSA-N

Smiles

COC1=C(OC)[C@H](O)[C@H](C/C=C(\C)CC/C=C(\C)CCC=C(C)C)[C@@H](C)C1=O

InChI

InChI=1S/C24H38O4/c1-16(2)10-8-11-17(3)12-9-13-18(4)14-15-20-19(5)21(25)23(27-6)24(28-7)22(20)26/h10,12,14,19-20,22,26H,8-9,11,13,15H2,1-7H3/b17-12+,18-14+/t19-,20-,22-/m1/s1

Property Name	Value
Molecular Formula	C24H38O4
Molecular Weight	390.56
AlogP	5.5
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	10.0
Polar Surface Area	55.76
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C24H38O4

Molecular Weight

390.56

AlogP

5.5

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

10.0

Polar Surface Area

55.76

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

28.0

Resources	Reference
ChEBI	65415
ChEMBL	CHEMBL3235620
DrugBank	DB12326
FDA SRS	AX9P92T7JZ
PubChem	24875259
SureChEMBL	SCHEMBL16919581
ZINC	ZINC000087529312

Resources

Reference

ChEBI

ChEMBL

DrugBank

FDA SRS

PubChem

SureChEMBL

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

ANTROQUINONOL

Structure

Physicochemical Descriptors

Cross References