TYROSOL


Synonyms	tyrosol
UNII	1AK4MU3SNX
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	YCCILVSKPBXVIP-UHFFFAOYSA-N
Smiles	OCCc1ccc(O)cc1
InChI	InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C8H10O2
Molecular Weight	138.16
AlogP	1.3
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	40.46
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	10.0

Assay Description	Organism	Bioactivity
Antifungal activity against Verticillium dahliae assessed as inhibition of mycelial radial growth measured after 350 hr	Verticillium dahliae	660.0 ug.mL-1
Inhibition of ATP sythesis in freshly lysed Spinacia oleracea (spinach) chloroplasts	Spinacia oleracea	None
Inhibition of NADPH oxidase in Homo sapiens (human) HUVEC cells	Homo sapiens	7500.0 nM

Cross References

Resources	Reference
ChEMBL	CHEMBL53566
FDA SRS	1AK4MU3SNX
PubChem	10393
SureChEMBL	SCHEMBL43838
ZINC	ZINC00164581

CONTENTS


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).