EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	96H21P91IG
EPA CompTox	DTXSID8047052

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

96H21P91IG

EPA CompTox

DTXSID8047052


InChI Key	QEBNYNLSCGVZOH-UHFFFAOYSA-N
Smiles	CC1CCC=C2CCC(CC12C)C(C)=C
InChI	InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3

InChI Key

QEBNYNLSCGVZOH-UHFFFAOYSA-N

Smiles

CC1CCC=C2CCC(CC12C)C(C)=C

InChI

InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3

Property Name	Value
Molecular Formula	C15H24
Molecular Weight	204.19
AlogP	4.73
Number of Rotational Bond	1.0
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C15H24

Molecular Weight

204.19

AlogP

4.73

Number of Rotational Bond

1.0

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	4630-07-3
NORMAN SUSDAT
FDA SRS	96H21P91IG
PubChem	288227
ChemSpider	254202.0

Resources

Reference

CAS NUMBER

4630-07-3

NORMAN SUSDAT

FDA SRS

96H21P91IG

PubChem

288227

ChemSpider

254202.0

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

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Structure

Physicochemical Descriptors

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