EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form
UNII	70U0WT21IB
EPA CompTox	DTXSID20196171

Keyword(s):

Natural Toxins

Molecule Category

Free-form

UNII

70U0WT21IB

EPA CompTox

DTXSID20196171


InChI Key	ZFKKRRMUPBBYRS-UHFFFAOYSA-N
Smiles	OC1=CC(O)=C(O)C2=C1C(=O)C=C(O2)C1=CC=CC=C1
InChI	InChI=1S/C15H10O5/c16-9-6-11(18)14(19)15-13(9)10(17)7-12(20-15)8-4-2-1-3-5-8/h1-7,16,18-19H

InChI Key

ZFKKRRMUPBBYRS-UHFFFAOYSA-N

Smiles

OC1=CC(O)=C(O)C2=C1C(=O)C=C(O2)C1=CC=CC=C1

InChI

InChI=1S/C15H10O5/c16-9-6-11(18)14(19)15-13(9)10(17)7-12(20-15)8-4-2-1-3-5-8/h1-7,16,18-19H

Property Name	Value
Molecular Formula	C15H10O5
Molecular Weight	270.05
AlogP	2.58
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	1.0
Polar Surface Area	90.9
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C15H10O5

Molecular Weight

270.05

AlogP

2.58

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

1.0

Polar Surface Area

90.9

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	4443-09-8
NORMAN SUSDAT
FDA SRS	70U0WT21IB
PubChem	5281674
ChemSpider	4444993.0

Resources

Reference

CAS NUMBER

4443-09-8

NORMAN SUSDAT

FDA SRS

70U0WT21IB

PubChem

5281674

ChemSpider

4444993.0

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

NORWOGONIN

Structure

Physicochemical Descriptors

Cross References