EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	8YB8F78WM1
EPA CompTox	DTXSID60872402

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

8YB8F78WM1

EPA CompTox

DTXSID60872402


InChI Key	MKXZASYAUGDDCJ-CGTJXYLNSA-N
Smiles	COC1=CC=C2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3C)C2=C1
InChI	InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m0/s1

InChI Key

MKXZASYAUGDDCJ-CGTJXYLNSA-N

Smiles

COC1=CC=C2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3C)C2=C1

InChI

InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m0/s1

Property Name	Value
Molecular Formula	C18H25NO
Molecular Weight	271.19
AlogP	3.38
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	12.47
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C18H25NO

Molecular Weight

271.19

AlogP

3.38

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

12.47

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	510-53-2
NORMAN SUSDAT
FDA SRS	8YB8F78WM1
PubChem	5362449
ChemSpider	4642423.0

Resources

Reference

CAS NUMBER

510-53-2

NORMAN SUSDAT

FDA SRS

8YB8F78WM1

PubChem

5362449

ChemSpider

4642423.0

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

RACEMETHORPHAN

Structure

Physicochemical Descriptors

Cross References