LU2

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one

Created:	2011-07-20
Last modified:	2020-06-05

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15 entries where LU2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	12

2D diagram of LU2

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Chemical Component Summary
Name	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
Synonyms	Luteolin
Systematic Name (OpenEye OEToolkits)	2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one
Formula	C₁₅ H₁₀ O₆
Molecular Weight	286.236
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1c3c(OC(=C1)c2ccc(O)c(O)c2)cc(O)cc3O
SMILES	CACTVS	3.370	Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(O)c(O)c3
SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O
Canonical SMILES	CACTVS	3.370	Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(O)c(O)c3
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O
InChI	InChI	1.03	InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
InChIKey	InChI	1.03	IQPNAANSBPBGFQ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB15584
Name	Luteolin
Groups	experimental
Synonyms	Luteolol Salifazide Luteolin Digitoflavone Flacitran Luteoline
Categories	Benzopyrans Chromones Flavones Flavonoids Heterocyclic Compounds, Fused-Ring Pyrans
CAS number	491-70-3

Related Resource References

Resource Name	Reference
Pharos	CHEMBL151
PubChem	5280445
ChEMBL	CHEMBL151
ChEBI	CHEBI:15864
CCDC/CSD	ZIKPUG01, EJEQIV, EJEPUG, ZIKPUG, VOHKIO, OQIXAQ
COD	7211146, 7211145, 4511768, 2202424

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.