EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID80274727

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID80274727


InChI Key	ANJTVLIZGCUXLD-UHFFFAOYSA-N
Smiles	C1C2CNCC1C3=CC=CC(=O)N3C2
InChI	InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2

InChI Key

ANJTVLIZGCUXLD-UHFFFAOYSA-N

Smiles

C1C2CNCC1C3=CC=CC(=O)N3C2

InChI

InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2

Property Name	Value
Molecular Formula	C11H14N2O1
Molecular Weight	190.11
AlogP	0.56
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Polar Surface Area	34.03
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C11H14N2O1

Molecular Weight

190.11

AlogP

0.56

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Polar Surface Area

34.03

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	15191-27-2
NORMAN SUSDAT
PubChem	22407
ChemSpider	9818.0

Resources

Reference

CAS NUMBER

15191-27-2

NORMAN SUSDAT

PubChem

22407

ChemSpider

9818.0

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

(±)-CYTISINE

Structure

Physicochemical Descriptors

Cross References