RE2

5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol

Created:	2009-01-19
Last modified:	2020-06-05

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2 entries where RE2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	12

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Chemical Component Summary
Name	5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol
Synonyms	Dihydroresveratrol
Systematic Name (OpenEye OEToolkits)	5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol
Formula	C₁₄ H₁₄ O₃
Molecular Weight	230.259
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Oc1cc(cc(O)c1)CCc2ccc(O)cc2
SMILES	CACTVS	3.341	Oc1ccc(CCc2cc(O)cc(O)c2)cc1
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1CCc2cc(cc(c2)O)O)O
Canonical SMILES	CACTVS	3.341	Oc1ccc(CCc2cc(O)cc(O)c2)cc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1CCc2cc(cc(c2)O)O)O
InChI	InChI	1.03	InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2
InChIKey	InChI	1.03	HITJFUSPLYBJPE-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB08466
Name	5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol
Groups	experimental
Synonyms	5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Leukotriene A-4 hydrolase	MPEIVDTCSLASPASVCRTKHLHLRCSVDFTRRTLTGTAALTVQSQEDNL...	unknown	inhibitor

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682