EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	SV68G507VO
EPA CompTox	DTXSID80237978

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

SV68G507VO

EPA CompTox

DTXSID80237978


InChI Key	ZVOLCUVKHLEPEV-UHFFFAOYSA-N
Smiles	Oc1ccc(cc1O)c1c(O)c(=O)c2c(o1)cc(O)c(O)c2O
InChI	InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H

InChI Key

ZVOLCUVKHLEPEV-UHFFFAOYSA-N

Smiles

Oc1ccc(cc1O)c1c(O)c(=O)c2c(o1)cc(O)c(O)c2O

InChI

InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H

Property Name	Value
Molecular Formula	C15H10O8
Molecular Weight	318.04
AlogP	1.69
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	6.0
Number of Rotational Bond	1.0
Polar Surface Area	151.59
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C15H10O8

Molecular Weight

318.04

AlogP

1.69

Hydrogen Bond Acceptor

8.0

Hydrogen Bond Donor

6.0

Number of Rotational Bond

1.0

Polar Surface Area

151.59

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	90-18-6
NORMAN SUSDAT
FDA SRS	SV68G507VO
PubChem	5281680
ChemSpider	4444999.0

Resources

Reference

CAS NUMBER

90-18-6

NORMAN SUSDAT

FDA SRS

SV68G507VO

PubChem

5281680

ChemSpider

4444999.0

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

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