EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form
EPA CompTox	DTXSID90877061

Keyword(s):

Natural Toxins

Molecule Category

Free-form

EPA CompTox

DTXSID90877061


InChI Key	IVUMRIXSXVKOMB-UHFFFAOYSA-N
Smiles	CC1=C2OC=CC2=CC2=C1OC(=O)C=C2
InChI	InChI=1S/C12H8O3/c1-7-11-9(4-5-14-11)6-8-2-3-10(13)15-12(7)8/h2-6H,1H3

InChI Key

IVUMRIXSXVKOMB-UHFFFAOYSA-N

Smiles

CC1=C2OC=CC2=CC2=C1OC(=O)C=C2

InChI

InChI=1S/C12H8O3/c1-7-11-9(4-5-14-11)6-8-2-3-10(13)15-12(7)8/h2-6H,1H3

Property Name	Value
Molecular Formula	C12H8O3
Molecular Weight	200.05
AlogP	2.85
Hydrogen Bond Acceptor	3.0
Polar Surface Area	43.35
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C12H8O3

Molecular Weight

200.05

AlogP

2.85

Hydrogen Bond Acceptor

3.0

Polar Surface Area

43.35

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	15912-88-6
NORMAN SUSDAT
PubChem	119073
ChemSpider	106397.0

Resources

Reference

CAS NUMBER

15912-88-6

NORMAN SUSDAT

PubChem

119073

ChemSpider

106397.0

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

PSORALEN,8-METHYL

Structure

Physicochemical Descriptors

Cross References