EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form
EPA CompTox	DTXSID90418539

Keyword(s):

Natural Toxins

Molecule Category

Free-form

EPA CompTox

DTXSID90418539


InChI Key	DINAUSDUEQEZGW-CMDGGOBGSA-N
Smiles	CC1=C/C2OC(=O)C(=C)C2CCC(=C)C(=O)CC1
InChI	InChI=1S/C15H18O3/c1-9-4-7-13(16)10(2)5-6-12-11(3)15(17)18-14(12)8-9/h8,12,14H,2-7H2,1H3/b9-8+

InChI Key

DINAUSDUEQEZGW-CMDGGOBGSA-N

Smiles

CC1=C/C2OC(=O)C(=C)C2CCC(=C)C(=O)CC1

InChI

InChI=1S/C15H18O3/c1-9-4-7-13(16)10(2)5-6-12-11(3)15(17)18-14(12)8-9/h8,12,14H,2-7H2,1H3/b9-8+

Property Name	Value
Molecular Formula	C15H18O3
Molecular Weight	246.13
AlogP	2.73
Hydrogen Bond Acceptor	3.0
Polar Surface Area	43.37
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C15H18O3

Molecular Weight

246.13

AlogP

2.73

Hydrogen Bond Acceptor

3.0

Polar Surface Area

43.37

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	32619-90-2
NORMAN SUSDAT
PubChem	5358986
ChemSpider	4514038.0

Resources

Reference

CAS NUMBER

32619-90-2

NORMAN SUSDAT

PubChem

5358986

ChemSpider

4514038.0

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

NSC293107 ((10E)-10-METHYL-3,6-DIMETHYLIDENE-3A,4,5,8,9,11A-HEXAHYDROCYCLODECA[B]FURAN-2,7-DIONE)

Structure

Physicochemical Descriptors

Cross References