EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form
UNII	46M5QL9VR7
EPA CompTox	DTXSID60934175

Keyword(s):

Natural Toxins

Molecule Category

Free-form

UNII

46M5QL9VR7

EPA CompTox

DTXSID60934175


InChI Key	QTNGLMWAVBOBLJ-RCFZRFIHSA-N
Smiles	C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H]([C@H]4O)O)C)C)N(C)C
InChI	InChI=1S/C23H41NO2/c1-14(24(4)5)16-8-9-17-15-6-7-19-21(26)20(25)11-13-23(19,3)18(15)10-12-22(16,17)2/h14-21,25-26H,6-13H2,1-5H3/t14-,15-,16+,17-,18-,19-,20-,21-,22+,23+/m0/s1

InChI Key

QTNGLMWAVBOBLJ-RCFZRFIHSA-N

Smiles

C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H]([C@H]4O)O)C)C)N(C)C

InChI

InChI=1S/C23H41NO2/c1-14(24(4)5)16-8-9-17-15-6-7-19-21(26)20(25)11-13-23(19,3)18(15)10-12-22(16,17)2/h14-21,25-26H,6-13H2,1-5H3/t14-,15-,16+,17-,18-,19-,20-,21-,22+,23+/m0/s1

Property Name	Value
Molecular Formula	C23H41NO2
Molecular Weight	363.31
AlogP	3.93
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	43.7
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C23H41NO2

Molecular Weight

363.31

AlogP

3.93

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

43.7

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	15112-49-9
NORMAN SUSDAT
FDA SRS	46M5QL9VR7
PubChem	177562
ChemSpider	154583.0

Resources

Reference

CAS NUMBER

15112-49-9

NORMAN SUSDAT

FDA SRS

46M5QL9VR7

PubChem

177562

ChemSpider

154583.0

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

TERMINALINE

Structure

Physicochemical Descriptors

Cross References