EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form
UNII	Z07LA0GY4J
EPA CompTox	DTXSID0024713

Keyword(s):

Natural Toxins

Molecule Category

Free-form

UNII

Z07LA0GY4J

EPA CompTox

DTXSID0024713


InChI Key	USDOQCCMRDNVAH-KKUMJFAQSA-N
Smiles	CC(C)[C@@H]1CC=C(C)[C@@H]2CC=C(C)C[C@@H]12
InChI	InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3/t13-,14-,15-/m0/s1

InChI Key

USDOQCCMRDNVAH-KKUMJFAQSA-N

Smiles

CC(C)[C@@H]1CC=C(C)[C@@H]2CC=C(C)C[C@@H]12

InChI

InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3/t13-,14-,15-/m0/s1

Property Name	Value
Molecular Formula	C15H24
Molecular Weight	204.19
AlogP	4.58
Number of Rotational Bond	1.0
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C15H24

Molecular Weight

204.19

AlogP

4.58

Number of Rotational Bond

1.0

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	523-47-7
NORMAN SUSDAT
FDA SRS	Z07LA0GY4J
PubChem	10657
ChemSpider	10207.0

Resources

Reference

CAS NUMBER

523-47-7

NORMAN SUSDAT

FDA SRS

Z07LA0GY4J

PubChem

10657

ChemSpider

10207.0

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

BETA-CADINENE

Structure

Physicochemical Descriptors

Cross References