EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form
EPA CompTox	DTXSID50300406

Keyword(s):

Natural Toxins

Molecule Category

Free-form

EPA CompTox

DTXSID50300406


InChI Key	OHZXJDOKMFHAFO-UHFFFAOYSA-N
Smiles	COC1C(O)C2C3N(CC=C3C1O)CC1=CC(OC)=C(OC)C=C21
InChI	InChI=1S/C18H23NO5/c1-22-12-6-9-8-19-5-4-10-15(19)14(11(9)7-13(12)23-2)17(21)18(24-3)16(10)20/h4,6-7,14-18,20-21H,5,8H2,1-3H3

InChI Key

OHZXJDOKMFHAFO-UHFFFAOYSA-N

Smiles

COC1C(O)C2C3N(CC=C3C1O)CC1=CC(OC)=C(OC)C=C21

InChI

InChI=1S/C18H23NO5/c1-22-12-6-9-8-19-5-4-10-15(19)14(11(9)7-13(12)23-2)17(21)18(24-3)16(10)20/h4,6-7,14-18,20-21H,5,8H2,1-3H3

Property Name	Value
Molecular Formula	C18H23NO5
Molecular Weight	333.16
AlogP	0.66
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	71.39
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C18H23NO5

Molecular Weight

333.16

AlogP

0.66

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

71.39

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	27857-07-4
NORMAN SUSDAT
PubChem	443686
ChemSpider	391803.0

Resources

Reference

CAS NUMBER

27857-07-4

NORMAN SUSDAT

PubChem

443686

ChemSpider

391803.0

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

NARCISSIDINE

Structure

Physicochemical Descriptors

Cross References