EcoDrugPlus


Keyword(s):	Natural Toxins ; Human Neurotoxin
Molecule Category	Free-form
UNII	0D3Q044KCA
EPA CompTox	DTXSID2045606

Keyword(s):

Natural Toxins ; Human Neurotoxin

Molecule Category

Free-form

UNII

0D3Q044KCA

EPA CompTox

DTXSID2045606


InChI Key	ASUTZQLVASHGKV-JDFRZJQESA-N
Smiles	COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24
InChI	InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1

InChI Key

ASUTZQLVASHGKV-JDFRZJQESA-N

Smiles

COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24

InChI

InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1

Property Name	Value
Molecular Formula	C17H21N1O3
Molecular Weight	287.15
AlogP	1.85
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	41.93
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C17H21N1O3

Molecular Weight

287.15

AlogP

1.85

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

41.93

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	357-70-0
NORMAN SUSDAT
FDA SRS	0D3Q044KCA
PubChem	9651
ChemSpider	9272.0

Resources

Reference

CAS NUMBER

357-70-0

NORMAN SUSDAT

FDA SRS

0D3Q044KCA

PubChem

9651

ChemSpider

9272.0

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

GALANTHAMINE

Structure

Physicochemical Descriptors

Cross References