EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form
EPA CompTox	DTXSID70935895

Keyword(s):

Natural Toxins

Molecule Category

Free-form

EPA CompTox

DTXSID70935895


InChI Key	BDQUGJCOXDENQA-UHFFFAOYSA-N
Smiles	c1ccc2c(c1)c1ccc3c(C=CC(C3O)O)c1cc2N
InChI	InChI=1S/C18H15NO2/c19-16-9-15-11(10-3-1-2-4-13(10)16)5-6-14-12(15)7-8-17(20)18(14)21/h1-9,17-18,20-21H,19H2

InChI Key

BDQUGJCOXDENQA-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c1ccc3c(C=CC(C3O)O)c1cc2N

InChI

InChI=1S/C18H15NO2/c19-16-9-15-11(10-3-1-2-4-13(10)16)5-6-14-12(15)7-8-17(20)18(14)21/h1-9,17-18,20-21H,19H2

Property Name	Value
Molecular Formula	C18H15NO2
Molecular Weight	277.11
AlogP	3.0
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Polar Surface Area	66.48
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C18H15NO2

Molecular Weight

277.11

AlogP

3.0

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

3.0

Polar Surface Area

66.48

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	158305-99-8
NORMAN SUSDAT
PubChem	3025891
ChemSpider	2291531.0

Resources

Reference

CAS NUMBER

158305-99-8

NORMAN SUSDAT

PubChem

3025891

ChemSpider

2291531.0

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

6-AMINO-1,2-DIHYDROCHRYSENE-1,2-DIOL

Structure

Physicochemical Descriptors

Cross References