EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form
UNII	4JEZ89Z9LA
EPA CompTox	DTXSID10891805

Keyword(s):

Natural Toxins

Molecule Category

Free-form

UNII

4JEZ89Z9LA

EPA CompTox

DTXSID10891805


InChI Key	VWMGBHVRRNKOAE-PDMNRUCYSA-N
Smiles	C[C@@]12CCCC([C@H]3[C@@H]1[C@@H](C[C@@]2(C3O)C)O)(C)C
InChI	InChI=1S/C15H26O2/c1-13(2)6-5-7-14(3)10-9(16)8-15(14,4)12(17)11(10)13/h9-12,16-17H,5-8H2,1-4H3/t9-,10+,11+,12?,14-,15-/m1/s1

InChI Key

VWMGBHVRRNKOAE-PDMNRUCYSA-N

Smiles

C[C@@]12CCCC([C@H]3[C@@H]1[C@@H](C[C@@]2(C3O)C)O)(C)C

InChI

InChI=1S/C15H26O2/c1-13(2)6-5-7-14(3)10-9(16)8-15(14,4)12(17)11(10)13/h9-12,16-17H,5-8H2,1-4H3/t9-,10+,11+,12?,14-,15-/m1/s1

Property Name	Value
Molecular Formula	C15H26O2
Molecular Weight	238.19
AlogP	2.58
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	40.46
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C15H26O2

Molecular Weight

238.19

AlogP

2.58

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

40.46

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	18374-83-9
NORMAN SUSDAT
FDA SRS	4JEZ89Z9LA
PubChem	115285
ChemSpider	327532.0

Resources

Reference

CAS NUMBER

18374-83-9

NORMAN SUSDAT

FDA SRS

4JEZ89Z9LA

PubChem

115285

ChemSpider

327532.0

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

CULMORIN

Structure

Physicochemical Descriptors

Cross References