EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
UNII	TV5341W478
EPA CompTox	DTXSID60171487

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

UNII

TV5341W478

EPA CompTox

DTXSID60171487


InChI Key	YGMNGQDLUQECTO-UJNFCWOMSA-N
Smiles	CC(=C)[C@@H]1C[C@@H]2O[C@]2(C)C(=O)C1
InChI	InChI=1S/C10H14O2/c1-6(2)7-4-8(11)10(3)9(5-7)12-10/h7,9H,1,4-5H2,2-3H3/t7-,9-,10+/m0/s1

InChI Key

YGMNGQDLUQECTO-UJNFCWOMSA-N

Smiles

CC(=C)[C@@H]1C[C@@H]2O[C@]2(C)C(=O)C1

InChI

InChI=1S/C10H14O2/c1-6(2)7-4-8(11)10(3)9(5-7)12-10/h7,9H,1,4-5H2,2-3H3/t7-,9-,10+/m0/s1

Property Name	Value
Molecular Formula	C10H14O2
Molecular Weight	166.1
AlogP	1.7
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	29.6
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C10H14O2

Molecular Weight

166.1

AlogP

1.7

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

29.6

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	18383-49-8
NORMAN SUSDAT
FDA SRS	TV5341W478
PubChem	11030188

Resources

Reference

CAS NUMBER

18383-49-8

NORMAN SUSDAT

FDA SRS

TV5341W478

PubChem

11030188

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

CARVONE-5,6-OXIDE, CIS-(-)-

Structure

Physicochemical Descriptors

Cross References