EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	XUI1Y24IMI
EPA CompTox	DTXSID1049019

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

XUI1Y24IMI

EPA CompTox

DTXSID1049019


InChI Key	ONBWJWYUHXVEJS-WYCAWQEYSA-N
Smiles	O[C@H]1C=C[C@H]2[C@@H]3CC4=C5C(O[C@@H]1[C@@]25CCN3)=C(O)C=C4
InChI	InChI=1S/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2/t9-,10-,12-,15-,16-/m0/s1

InChI Key

ONBWJWYUHXVEJS-WYCAWQEYSA-N

Smiles

O[C@H]1C=C[C@H]2[C@@H]3CC4=C5C(O[C@@H]1[C@@]25CCN3)=C(O)C=C4

InChI

InChI=1S/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2/t9-,10-,12-,15-,16-/m0/s1

Property Name	Value
Molecular Formula	C16H17N1O3
Molecular Weight	271.12
AlogP	0.86
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	3.0
Polar Surface Area	61.72
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C16H17N1O3

Molecular Weight

271.12

AlogP

0.86

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

3.0

Polar Surface Area

61.72

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	466-97-7
NORMAN SUSDAT
FDA SRS	XUI1Y24IMI
PubChem	5462508
ChemSpider	4575435.0

Resources

Reference

CAS NUMBER

466-97-7

NORMAN SUSDAT

FDA SRS

XUI1Y24IMI

PubChem

5462508

ChemSpider

4575435.0

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

NORMORPHINE

Structure

Physicochemical Descriptors

Cross References