EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form

Keyword(s):

Natural Toxins

Molecule Category

Free-form


InChI Key	IAMAGCYHFCOILS-UHFFFAOYSA-N
Smiles	Cc1cc(=O)c2c(cc3c(c2o1)CC=C(CO3)CO)O
InChI	InChI=1S/C15H14O5/c1-8-4-11(17)14-12(18)5-13-10(15(14)20-8)3-2-9(6-16)7-19-13/h2,4-5,16,18H,3,6-7H2,1H3

InChI Key

IAMAGCYHFCOILS-UHFFFAOYSA-N

Smiles

Cc1cc(=O)c2c(cc3c(c2o1)CC=C(CO3)CO)O

InChI

InChI=1S/C15H14O5/c1-8-4-11(17)14-12(18)5-13-10(15(14)20-8)3-2-9(6-16)7-19-13/h2,4-5,16,18H,3,6-7H2,1H3

Property Name	Value
Molecular Formula	C15H14O5
Molecular Weight	274.08
AlogP	1.66
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	79.9
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C15H14O5

Molecular Weight

274.08

AlogP

1.66

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

79.9

Heavy Atoms

20.0

Resources	Reference
NORMAN SUSDAT
PubChem	135010663
ChemSpider	30659123.0

Resources

Reference

NORMAN SUSDAT

PubChem

135010663

ChemSpider

30659123.0

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, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

5-HYDROXY-9-(HYDROXYMETHYL)-2-METHYL-8,11-DIHYDROPYRANO[2,3-G][1]BENZOXEPIN-4-ONE

Structure

Physicochemical Descriptors

Cross References