EcoDrugPlus


Synonyms	3'-quercetin phosphate LIM-0705 Lim-0705 Quercetin 3'-phosphate Quercetin-3'-o-phosphate
Status
Molecule Category	Free-form
UNII	E2I4458LJN


InChI Key	UWJBYNLLMAPJMM-UHFFFAOYSA-N
Smiles	O=c1c(O)c(-c2ccc(O)c(OP(=O)(O)O)c2)oc2cc(O)cc(O)c12
InChI	InChI=1S/C15H11O10P/c16-7-4-9(18)12-11(5-7)24-15(14(20)13(12)19)6-1-2-8(17)10(3-6)25-26(21,22)23/h1-5,16-18,20H,(H2,21,22,23)

Property Name	Value
Molecular Formula	C15H11O10P
Molecular Weight	382.22
AlogP	1.75
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	6.0
Number of Rotational Bond	3.0
Polar Surface Area	177.89
Molecular species	ACID
Aromatic Rings	3.0
Heavy Atoms	26.0

Resources	Reference
ChEMBL	CHEMBL4297397
DrugBank	DB12937
FDA SRS	E2I4458LJN
PubChem	20833257
SureChEMBL	SCHEMBL118113

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...

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Last update: Monday, 3 November 2025

QUERCETIN-3'-O-PHOSPHATE

Structure

Physicochemical Descriptors

Related Entries

Cross References