EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form
UNII	36643HJB52

Keyword(s):

Natural Toxins

Molecule Category

Free-form

UNII

36643HJB52


InChI Key	SGTJIQOCQLGWBX-FXWKDPFOSA-N
Smiles	CC[C@@H](C)C(=O)O[C@H]1CC[C@]2([C@H]3[C@]1(O[C@@]24C[C@H]5[C@@H]6CN7C[C@H](CC[C@H]7[C@@]([C@H]6[C@H]([C@@H]([C@]5([C@@H]4[C@@H](C3)O)O)O)O)(C)O)C)O)C
InChI	CC[C@@H](C)C(=O)O[C@H]1CC[C@]2([C@H]3[C@]1(O[C@@]24C[C@H]5[C@@H]6CN7C[C@H](CC[C@H]7[C@@]([C@H]6[C@H]([C@@H]([C@]5([C@@H]4[C@@H](C3)O)O)O)O)(C)O)C)O)C InChIKey: SGTJIQOCQLGWBX-FXWKDPFOSA-N

InChI Key

SGTJIQOCQLGWBX-FXWKDPFOSA-N

Smiles

CC[C@@H](C)C(=O)O[C@H]1CC[C@]2([C@H]3[C@]1(O[C@@]24C[C@H]5[C@@H]6CN7C[C@H](CC[C@H]7[C@@]([C@H]6[C@H]([C@@H]([C@]5([C@@H]4[C@@H](C3)O)O)O)O)(C)O)C)O)C

InChI

CC[C@@H](C)C(=O)O[C@H]1CC[C@]2([C@H]3[C@]1(O[C@@]24C[C@H]5[C@@H]6CN7C[C@H](CC[C@H]7[C@@]([C@H]6[C@H]([C@@H]([C@]5([C@@H]4[C@@H](C3)O)O)O)O)(C)O)C)O)C InChIKey: SGTJIQOCQLGWBX-FXWKDPFOSA-N

Property Name	Value
Molecular Formula	C32H51NO9

Property Name

Value

Molecular Formula

C32H51NO9

Resources	Reference
CAS NUMBER	465-78-1
NORMAN SUSDAT
FDA SRS	36643HJB52
PubChem	101428717
ChemSpider	64854011.0

Resources

Reference

CAS NUMBER

465-78-1

NORMAN SUSDAT

FDA SRS

36643HJB52

PubChem

101428717

ChemSpider

64854011.0

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

PROTOVERATRIDINE

Structure

Physicochemical Descriptors

Cross References