EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form
EPA CompTox	DTXSID80182090

Keyword(s):

Natural Toxins

Molecule Category

Free-form

EPA CompTox

DTXSID80182090


InChI Key	WXVSPYOOFCCEII-KXBFYZLASA-N
Smiles	CO[C@@H]1C[C@]23N(CC=C2C=C1)CCC1=CC(OC)=C(OC)C=C31
InChI	InChI=1S/C19H23NO3/c1-21-15-5-4-14-7-9-20-8-6-13-10-17(22-2)18(23-3)11-16(13)19(14,20)12-15/h4-5,7,10-11,15H,6,8-9,12H2,1-3H3/t15-,19-/m0/s1

InChI Key

WXVSPYOOFCCEII-KXBFYZLASA-N

Smiles

CO[C@@H]1C[C@]23N(CC=C2C=C1)CCC1=CC(OC)=C(OC)C=C31

InChI

InChI=1S/C19H23NO3/c1-21-15-5-4-14-7-9-20-8-6-13-10-17(22-2)18(23-3)11-16(13)19(14,20)12-15/h4-5,7,10-11,15H,6,8-9,12H2,1-3H3/t15-,19-/m0/s1

Property Name	Value
Molecular Formula	C19H23NO3
Molecular Weight	313.17
AlogP	2.67
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	3.0
Polar Surface Area	30.93
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C19H23NO3

Molecular Weight

313.17

AlogP

2.67

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

3.0

Polar Surface Area

30.93

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	27740-43-8
NORMAN SUSDAT
PubChem	442219
ChemSpider	390718.0

Resources

Reference

CAS NUMBER

27740-43-8

NORMAN SUSDAT

PubChem

442219

ChemSpider

390718.0

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

ERYTHRINAN, 1,2,6,7-TETRADEHYDRO-3,15,16-TRIMETHOXY-, (3BETA)-

Structure

Physicochemical Descriptors

Cross References