EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form
EPA CompTox	DTXSID80332038

Keyword(s):

Natural Toxins

Molecule Category

Free-form

EPA CompTox

DTXSID80332038


InChI Key	BKWVNPXVPQOROM-UHFFFAOYSA-N
Smiles	[H]C12CCC(O)(CCC1)N2C
InChI	InChI=1S/C8H15NO/c1-9-7-3-2-5-8(9,10)6-4-7/h7,10H,2-6H2,1H3

InChI Key

BKWVNPXVPQOROM-UHFFFAOYSA-N

Smiles

[H]C12CCC(O)(CCC1)N2C

InChI

InChI=1S/C8H15NO/c1-9-7-3-2-5-8(9,10)6-4-7/h7,10H,2-6H2,1H3

Property Name	Value
Molecular Formula	C8H15NO
Molecular Weight	141.12
AlogP	0.95
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Polar Surface Area	23.47
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C8H15NO

Molecular Weight

141.12

AlogP

0.95

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Polar Surface Area

23.47

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	60723-27-5
NORMAN SUSDAT
PubChem	443008
ChemSpider	391309.0

Resources

Reference

CAS NUMBER

60723-27-5

NORMAN SUSDAT

PubChem

443008

ChemSpider

391309.0

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

PHYSOPERUVINE

Structure

Physicochemical Descriptors

Cross References