EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	RT2MIV2HY2

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

RT2MIV2HY2


InChI Key	MMRNCQMFQXTUGO-UHFFFAOYSA-N
Smiles	Oc1cc(O)c2C(=O)c3c(O)c(O)cc(O)c3C(=O)c2c1O
InChI	InChI=1S/C14H8O8/c15-3-1-5(17)11(19)9-7(3)13(21)10-8(14(9)22)4(16)2-6(18)12(10)20/h1-2,15-20H

InChI Key

MMRNCQMFQXTUGO-UHFFFAOYSA-N

Smiles

Oc1cc(O)c2C(=O)c3c(O)c(O)cc(O)c3C(=O)c2c1O

InChI

InChI=1S/C14H8O8/c15-3-1-5(17)11(19)9-7(3)13(21)10-8(14(9)22)4(16)2-6(18)12(10)20/h1-2,15-20H

Property Name	Value
Molecular Formula	C14H8O8
Molecular Weight	304.02
AlogP	0.7
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	6.0
Polar Surface Area	155.52
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C14H8O8

Molecular Weight

304.02

AlogP

0.7

Hydrogen Bond Acceptor

8.0

Hydrogen Bond Donor

6.0

Polar Surface Area

155.52

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	6373-24-6
NORMAN SUSDAT
FDA SRS	RT2MIV2HY2

Resources

Reference

CAS NUMBER

6373-24-6

NORMAN SUSDAT

FDA SRS

RT2MIV2HY2

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

1,2,4,5,6,8(OR1,2,4,5,7,8)-HEXAHYDROXYANTHRAQUINONE

Structure

Physicochemical Descriptors

Cross References