EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	P6R86H59XS
EPA CompTox	DTXSID60191569

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

P6R86H59XS

EPA CompTox

DTXSID60191569


InChI Key	GSAOUZGPXSGVRS-UHFFFAOYSA-N
Smiles	Oc1cc2oc(cc(=O)c2cc1O)-c1ccccc1
InChI	InChI=1S/C15H10O4/c16-11-7-14(9-4-2-1-3-5-9)19-15-8-13(18)12(17)6-10(11)15/h1-8,17-18H

InChI Key

GSAOUZGPXSGVRS-UHFFFAOYSA-N

Smiles

Oc1cc2oc(cc(=O)c2cc1O)-c1ccccc1

InChI

InChI=1S/C15H10O4/c16-11-7-14(9-4-2-1-3-5-9)19-15-8-13(18)12(17)6-10(11)15/h1-8,17-18H

Property Name	Value
Molecular Formula	C15H10O4
Molecular Weight	254.06
AlogP	2.87
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	70.67
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C15H10O4

Molecular Weight

254.06

AlogP

2.87

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

70.67

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	38183-04-9
NORMAN SUSDAT
FDA SRS	P6R86H59XS
PubChem	5353357
ChemSpider	4510059.0

Resources

Reference

CAS NUMBER

38183-04-9

NORMAN SUSDAT

FDA SRS

P6R86H59XS

PubChem

5353357

ChemSpider

4510059.0

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, 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, 3 November 2025

6,7-DIHYDROXYFLAVONE

Structure

Physicochemical Descriptors

Cross References