EcoDrugPlus


Synonyms	Benezene-1,3,5-triol Dilospan s NSC-1572 Phloroglucin Phloroglucinol Spasfon Spasfon-lyoc Sym-trihydroxybenzene
Status
Molecule Category	Free-form
ATC	A03AX12
UNII	DHD7FFG6YS
EPA CompTox	DTXSID9048354

Synonyms

Benezene-1,3,5-triol

Dilospan s

NSC-1572

Phloroglucin

Phloroglucinol

Spasfon

Spasfon-lyoc

Sym-trihydroxybenzene

Status

Molecule Category

Free-form

ATC

A03AX12

UNII

DHD7FFG6YS

EPA CompTox

DTXSID9048354


InChI Key	QCDYQQDYXPDABM-UHFFFAOYSA-N
Smiles	Oc1cc(O)cc(O)c1
InChI	InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H

InChI Key

QCDYQQDYXPDABM-UHFFFAOYSA-N

Smiles

Oc1cc(O)cc(O)c1

InChI

InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H

Property Name	Value
Molecular Formula	C6H6O3
Molecular Weight	126.11
AlogP	0.8
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Polar Surface Area	60.69
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C6H6O3

Molecular Weight

126.11

AlogP

0.8

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

3.0

Polar Surface Area

60.69

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

9.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Crotalus adamanteus	-	-	-	8.77-8.86	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Crotalus adamanteus

8.77-8.86

Resources	Reference
ChEBI	16204
ChEMBL	CHEMBL473159
DrugBank	DB12944
DrugCentral	2153
FDA SRS	DHD7FFG6YS
Human Metabolome Database	HMDB0013675
KEGG	C02183
PDB	13X
SureChEMBL	SCHEMBL26311
ZINC	ZINC000000391883

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Human Metabolome Database

KEGG

PDB

SureChEMBL

ZINC

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

PHLOROGLUCINOL

Structure

Physicochemical Descriptors

Pharmacology

Cross References