EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID9051373

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID9051373


InChI Key	YFHKETGXYQOMGB-UHFFFAOYNA-N
Smiles	CC1CC2CCC3C(C2O1)C(C)(C)C(C)C3(C)C
InChI	InChI=1S/C17H30O/c1-10-9-12-7-8-13-14(15(12)18-10)17(5,6)11(2)16(13,3)4/h10-15H,7-9H2,1-6H3/t10-,11+,12+,13-,14-,15+/m1/s1

InChI Key

YFHKETGXYQOMGB-UHFFFAOYNA-N

Smiles

CC1CC2CCC3C(C2O1)C(C)(C)C(C)C3(C)C

InChI

InChI=1S/C17H30O/c1-10-9-12-7-8-13-14(15(12)18-10)17(5,6)11(2)16(13,3)4/h10-15H,7-9H2,1-6H3/t10-,11+,12+,13-,14-,15+/m1/s1

Property Name	Value
Molecular Formula	C17H30O1
Molecular Weight	250.23
AlogP	4.51
Hydrogen Bond Acceptor	1.0
Polar Surface Area	9.23
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C17H30O1

Molecular Weight

250.23

AlogP

4.51

Hydrogen Bond Acceptor

1.0

Polar Surface Area

9.23

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	338735-71-0
NORMAN SUSDAT
ChemSpider	23350848.0

Resources

Reference

CAS NUMBER

338735-71-0

NORMAN SUSDAT

ChemSpider

23350848.0

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

2,6,6,7,8,8-HEXAMETHYLDECAHYDRO-2H-INDENO[4,5-B]FURAN

Structure

Physicochemical Descriptors

Cross References