EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	0V56HXQ8N5
EPA CompTox	DTXSID30873067

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

0V56HXQ8N5

EPA CompTox

DTXSID30873067


InChI Key	VLXDPFLIRFYIME-MFEYBKIZSA-N
Smiles	CC(C)C1CC[C@]2(C)C3CC=C(C)C2C13
InChI	InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13+,14-,15-/m1/s1

InChI Key

VLXDPFLIRFYIME-MFEYBKIZSA-N

Smiles

CC(C)C1CC[C@]2(C)C3CC=C(C)C2C13

InChI

InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13+,14-,15-/m1/s1

Property Name	Value
Molecular Formula	C15H24
Molecular Weight	204.19
AlogP	4.27
Number of Rotational Bond	1.0
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C15H24

Molecular Weight

204.19

AlogP

4.27

Number of Rotational Bond

1.0

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	3856-25-5
NORMAN SUSDAT
FDA SRS	0V56HXQ8N5
PubChem	76319594
ChemSpider	18581.0

Resources

Reference

CAS NUMBER

3856-25-5

NORMAN SUSDAT

FDA SRS

0V56HXQ8N5

PubChem

76319594

ChemSpider

18581.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

8-ISOPROPYL-1,3-DIMETHYLTRICYCLO(4.4.0.02,7)DEC-3-ENE

Structure

Physicochemical Descriptors

Cross References