EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form
UNII	O1GYU8J4WO

Keyword(s):

Natural Toxins

Molecule Category

Free-form

UNII

O1GYU8J4WO


InChI Key	GRAPNMOWHGCRLX-PPVIYJMXSA-N
Smiles	C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@@]56[C@@]4(CC[C@@H]5[C@@]7(CC(=O)OC7)OC6)O)C)O)OC)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O
InChI	None

InChI Key

GRAPNMOWHGCRLX-PPVIYJMXSA-N

Smiles

C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@@]56[C@@]4(CC[C@@H]5[C@@]7(CC(=O)OC7)OC6)O)C)O)OC)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O

InChI

None

Property Name	Value
Molecular Formula	C42H66O19

Property Name

Value

Molecular Formula

C42H66O19

Resources	Reference
CAS NUMBER	1357089-32-7
NORMAN SUSDAT
FDA SRS	O1GYU8J4WO
PubChem	101570752
ChemSpider	52085558.0

Resources

Reference

CAS NUMBER

1357089-32-7

NORMAN SUSDAT

FDA SRS

O1GYU8J4WO

PubChem

101570752

ChemSpider

52085558.0

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

THEVETIN C

Structure

Physicochemical Descriptors

Cross References