EcoDrugPlus


Synonyms	4-hydroxysantonin Artemisin GNF-Pf-5341
Status
Molecule Category	Free-form
UNII	Y1R67R7XWU
EPA CompTox	DTXSID80877833

Synonyms

4-hydroxysantonin

Artemisin

GNF-Pf-5341

Status

Molecule Category

Free-form

UNII

Y1R67R7XWU

EPA CompTox

DTXSID80877833


InChI Key	BLUAFEHZUWYNDE-XRNKLDBLSA-N
Smiles	C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1C32OO4
InChI	InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14+,15?/m1/s1

InChI Key

BLUAFEHZUWYNDE-XRNKLDBLSA-N

Smiles

C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1C32OO4

InChI

InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14+,15?/m1/s1

Property Name	Value
Molecular Formula	C15H22O5
Molecular Weight	282.34
AlogP	2.39
Hydrogen Bond Acceptor	5.0
Polar Surface Area	53.99
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C15H22O5

Molecular Weight

282.34

AlogP

2.39

Hydrogen Bond Acceptor

5.0

Polar Surface Area

53.99

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	481-05-0
ChEMBL	CHEMBL77
FDA SRS	Y1R67R7XWU
SureChEMBL	SCHEMBL13219259

Resources

Reference

CAS NUMBER

ChEMBL

FDA SRS

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 23^rd March 2026

ARTEMISIN

Structure

Physicochemical Descriptors

Cross References