EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form
EPA CompTox	DTXSID40939229

Keyword(s):

Natural Toxins

Molecule Category

Free-form

EPA CompTox

DTXSID40939229


InChI Key	FHAGACMCMQYSNX-UHFFFAOYSA-N
Smiles	CC(=C)C1CC2=C3C(=C(C=C2O1)O)C(=O)C4=CC=CC=C4N3C
InChI	InChI=1S/C19H17NO3/c1-10(2)15-8-12-16(23-15)9-14(21)17-18(12)20(3)13-7-5-4-6-11(13)19(17)22/h4-7,9,15,21H,1,8H2,2-3H3

InChI Key

FHAGACMCMQYSNX-UHFFFAOYSA-N

Smiles

CC(=C)C1CC2=C3C(=C(C=C2O1)O)C(=O)C4=CC=CC=C4N3C

InChI

InChI=1S/C19H17NO3/c1-10(2)15-8-12-16(23-15)9-14(21)17-18(12)20(3)13-7-5-4-6-11(13)19(17)22/h4-7,9,15,21H,1,8H2,2-3H3

Property Name	Value
Molecular Formula	C19H17NO3
Molecular Weight	307.12
AlogP	3.28
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	51.46
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C19H17NO3

Molecular Weight

307.12

AlogP

3.28

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

51.46

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	17948-33-3
NORMAN SUSDAT
PubChem	5281849
ChemSpider	4445145.0

Resources

Reference

CAS NUMBER

17948-33-3

NORMAN SUSDAT

PubChem

5281849

ChemSpider

4445145.0

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-11-METHYL-2-(PROP-1-EN-2-YL)-1,11-DIHYDROFURO[2,3-C]ACRIDIN-6(2H)-ONE

Structure

Physicochemical Descriptors

Cross References