EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	RMS11A8E8B
EPA CompTox	DTXSID00182572

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

RMS11A8E8B

EPA CompTox

DTXSID00182572


InChI Key	YVPJVAWPIRGOJN-UHFFFAOYSA-N
Smiles	C1C(CC(CC1c1ccccc1)c1ccccc1)c1ccccc1
InChI	InChI=1S/C24H24/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h1-15,22-24H,16-18H2/t22-,23-,24-

InChI Key

YVPJVAWPIRGOJN-UHFFFAOYSA-N

Smiles

C1C(CC(CC1c1ccccc1)c1ccccc1)c1ccccc1

InChI

InChI=1S/C24H24/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h1-15,22-24H,16-18H2/t22-,23-,24-

Property Name	Value
Molecular Formula	C24H24
Molecular Weight	312.19
AlogP	6.52
Number of Rotational Bond	3.0
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C24H24

Molecular Weight

312.19

AlogP

6.52

Number of Rotational Bond

3.0

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	28336-57-4
NORMAN SUSDAT
FDA SRS	RMS11A8E8B
PubChem	119930
ChemSpider	107078.0

Resources

Reference

CAS NUMBER

28336-57-4

NORMAN SUSDAT

FDA SRS

RMS11A8E8B

PubChem

119930

ChemSpider

107078.0

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

1,3,5-TRIPHENYLCYCLOHEXANE, CIS,TRANS-

Structure

Physicochemical Descriptors

Cross References