EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Z6Z18X1Y4D
EPA CompTox	DTXSID90949590

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Z6Z18X1Y4D

EPA CompTox

DTXSID90949590


InChI Key	CRANETCJDDEINO-UHFFFAOYSA-N
Smiles	COC(=O)c1ccc(c2c1nc3c(cc(c(c3n2)C=O)O)O)O
InChI	InChI=1S/C15H10N2O6/c1-23-15(22)6-2-3-8(19)13-11(6)16-14-10(21)4-9(20)7(5-18)12(14)17-13/h2-5,19-21H,1H3

InChI Key

CRANETCJDDEINO-UHFFFAOYSA-N

Smiles

COC(=O)c1ccc(c2c1nc3c(cc(c(c3n2)C=O)O)O)O

InChI

InChI=1S/C15H10N2O6/c1-23-15(22)6-2-3-8(19)13-11(6)16-14-10(21)4-9(20)7(5-18)12(14)17-13/h2-5,19-21H,1H3

Property Name	Value
Molecular Formula	C15H10N2O6
Molecular Weight	314.05
AlogP	1.5
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	129.84
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C15H10N2O6

Molecular Weight

314.05

AlogP

1.5

Hydrogen Bond Acceptor

8.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

129.84

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	26786-84-5
NORMAN SUSDAT
FDA SRS	Z6Z18X1Y4D
ChemSpider	16736799.0

Resources

Reference

CAS NUMBER

26786-84-5

NORMAN SUSDAT

FDA SRS

Z6Z18X1Y4D

ChemSpider

16736799.0

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

METHYL 6-FORMYL-4,7,9-TRIHYDROXY-1-PHENAZINECARBOXYLATE

Structure

Physicochemical Descriptors

Cross References