EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form
UNII	O2H2Z421AP
EPA CompTox	DTXSID60197420

Keyword(s):

Natural Toxins

Molecule Category

Free-form

UNII

O2H2Z421AP

EPA CompTox

DTXSID60197420


InChI Key	YQHZABGPIPECSQ-UHFFFAOYSA-N
Smiles	OCC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(O)C=C1O)C2=O
InChI	InChI=1S/C15H10O6/c16-5-6-1-8-12(10(18)2-6)15(21)13-9(14(8)20)3-7(17)4-11(13)19/h1-4,16-19H,5H2

InChI Key

YQHZABGPIPECSQ-UHFFFAOYSA-N

Smiles

OCC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(O)C=C1O)C2=O

InChI

InChI=1S/C15H10O6/c16-5-6-1-8-12(10(18)2-6)15(21)13-9(14(8)20)3-7(17)4-11(13)19/h1-4,16-19H,5H2

Property Name	Value
Molecular Formula	C15H10O6
Molecular Weight	286.05
AlogP	1.07
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	1.0
Polar Surface Area	115.06
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C15H10O6

Molecular Weight

286.05

AlogP

1.07

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

1.0

Polar Surface Area

115.06

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	481-73-2
NORMAN SUSDAT
FDA SRS	O2H2Z421AP
PubChem	361512
ChemSpider	320912.0

Resources

Reference

CAS NUMBER

481-73-2

NORMAN SUSDAT

FDA SRS

O2H2Z421AP

PubChem

361512

ChemSpider

320912.0

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

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Structure

Physicochemical Descriptors

Cross References