EcoDrugPlus


Synonyms	(+)-Eudesmin (+)-Pinoresinol Dimethyl Ether
Molecule Category	Free-form
UNII	3TPV0HJ9B0
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Synonyms

(+)-Eudesmin

(+)-Pinoresinol Dimethyl Ether

Molecule Category

Free-form

UNII

Source

Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


InChI Key	PEUUVVGQIVMSAW-RZTYQLBFSA-N
Smiles	COc1ccc(cc1OC)[C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c4ccc(OC)c(OC)c4
InChI	InChI=1S/C22H26O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-28-22(16(15)12-27-21)14-6-8-18(24-2)20(10-14)26-4/h5-10,15-16,21-22H,11-12H2,1-4H3/t15-,16-,21+,22+/m0/s1

InChI Key

PEUUVVGQIVMSAW-RZTYQLBFSA-N

Smiles

COc1ccc(cc1OC)[C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c4ccc(OC)c(OC)c4

InChI

InChI=1S/C22H26O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-28-22(16(15)12-27-21)14-6-8-18(24-2)20(10-14)26-4/h5-10,15-16,21-22H,11-12H2,1-4H3/t15-,16-,21+,22+/m0/s1

Property Name	Value
Molecular Formula	C22H26O6
Molecular Weight	386.44
AlogP	2.64
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	6.0
Polar Surface Area	55.38
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C22H26O6

Molecular Weight

386.44

AlogP

2.64

Hydrogen Bond Acceptor

6.0

Number of Rotational Bond

6.0

Polar Surface Area

55.38

Heavy Atoms

28.0

Resources	Reference
ChEMBL	CHEMBL519099
FDA SRS	3TPV0HJ9B0
PubChem	73117
SureChEMBL	SCHEMBL12427086

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

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

(+)-EUDESMIN

Structure

Physicochemical Descriptors

Cross References