EcoDrugPlus


Synonyms	AZD-103 Cocositol Cyclohexane-1,2,3,4,5,6-Hexaol ELND-005 ELND005 Inositol, scyllo- Quercinitol Scyllitol Scyllo-cyclohexanehexol Scyllo-inositol
Status
Molecule Category	Free-form
UNII	1VS4X81277
EPA CompTox	DTXSID50905091


InChI Key	CDAISMWEOUEBRE-CDRYSYESSA-N
Smiles	O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChI	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3+,4+,5-,6-

Property Name	Value
Molecular Formula	C6H12O6
Molecular Weight	180.16
AlogP	-3.83
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	6.0
Polar Surface Area	121.38
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	12.0

Resources	Reference
CAS NUMBER	488-59-5
ChEBI	10642
ChEMBL	CHEMBL468154
DrugBank	DB03106
FDA SRS	1VS4X81277
Human Metabolome Database	HMDB0240207
Guide to Pharmacology	4649
KEGG	C06153
PDB	2H3
SureChEMBL	SCHEMBL5832
ZINC	ZINC000100055570

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 23^rd March 2026

SCYLLITOL

Structure

Physicochemical Descriptors

Related Entries

Cross References