EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form

Keyword(s):

Human Metabolites

Molecule Category

Free-form


InChI Key	UDSOBQUPZDBBNO-UHFFFAOYSA-N
Smiles	OC(=O)c1ccc2c3ccc4c5c(ccc(c6ccc(C(O)=O)c1c26)c35)c(=O)[nH]c4=O
InChI	InChI=1S/C24H11NO6/c26-21-13-5-1-9-11-3-7-15(23(28)29)20-16(24(30)31)8-4-12(18(11)20)10-2-6-14(22(27)25-21)19(13)17(9)10/h1-8H,(H,28,29)(H,30,31)(H,25,26,27)

InChI Key

UDSOBQUPZDBBNO-UHFFFAOYSA-N

Smiles

OC(=O)c1ccc2c3ccc4c5c(ccc(c6ccc(C(O)=O)c1c26)c35)c(=O)[nH]c4=O

InChI

InChI=1S/C24H11NO6/c26-21-13-5-1-9-11-3-7-15(23(28)29)20-16(24(30)31)8-4-12(18(11)20)10-2-6-14(22(27)25-21)19(13)17(9)10/h1-8H,(H,28,29)(H,30,31)(H,25,26,27)

Property Name	Value
Molecular Formula	C24H11N1O6
Molecular Weight	409.06
AlogP	4.59
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	124.26
Heavy Atoms	31.0

Property Name

Value

Molecular Formula

C24H11N1O6

Molecular Weight

409.06

AlogP

4.59

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

124.26

Heavy Atoms

31.0

Resources	Reference
CAS NUMBER	1451734-05-6
NORMAN SUSDAT
PubChem	18699150

Resources

Reference

CAS NUMBER

1451734-05-6

NORMAN SUSDAT

PubChem

18699150

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...

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Last update: Monday, 3 November 2025

2,3-DIHYDRO-1,3-DIOXO-1H-PERYLO[3,4-CD]PYRIDINE-8,9-DICARBOXYLIC ACID

Structure

Physicochemical Descriptors

Cross References