EcoDrugPlus


Synonyms	Protopine
Molecule Category	Free-form
UNII	UIW569HT35
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

Protopine

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	ZAALQOFZFANFTF-UHFFFAOYSA-N
Smiles	CN1CCc2cc3OCOc3cc2C(=O)Cc4cc5OCOc5cc4C1
InChI	InChI=1S/C20H19NO5/c1-21-3-2-12-5-17-20(26-11-23-17)8-15(12)16(22)4-13-6-18-19(25-10-24-18)7-14(13)9-21/h5-8H,2-4,9-11H2,1H3

InChI Key

ZAALQOFZFANFTF-UHFFFAOYSA-N

Smiles

CN1CCc2cc3OCOc3cc2C(=O)Cc4cc5OCOc5cc4C1

InChI

InChI=1S/C20H19NO5/c1-21-3-2-12-5-17-20(26-11-23-17)8-15(12)16(22)4-13-6-18-19(25-10-24-18)7-14(13)9-21/h5-8H,2-4,9-11H2,1H3

Property Name	Value
Molecular Formula	C20H19NO5
Molecular Weight	353.37
AlogP	2.95
Hydrogen Bond Acceptor	6.0
Polar Surface Area	57.23
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C20H19NO5

Molecular Weight

353.37

AlogP

2.95

Hydrogen Bond Acceptor

6.0

Polar Surface Area

57.23

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

26.0

Resources	Reference
ChEMBL	CHEMBL486179
FDA SRS	UIW569HT35
PubChem	185559

Resources

Reference

ChEMBL

CHEMBL486179

FDA SRS

UIW569HT35

PubChem

185559

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

PROTOPINE

Structure

Physicochemical Descriptors

Cross References