HXP

3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACID

Created:	1999-07-08
Last modified:	2011-06-04

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1 entries where HXP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	12

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Chemical Component Summary
Name	3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACID
Systematic Name (OpenEye OEToolkits)	3-(3,6-dihydroxy-9H-xanthen-9-yl)propanoic acid
Formula	C₁₆ H₁₄ O₅
Molecular Weight	286.279
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CCC2c3c(Oc1c2ccc(O)c1)cc(O)cc3
SMILES	CACTVS	3.341	OC(=O)CC[CH]1c2ccc(O)cc2Oc3cc(O)ccc13
SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(cc1O)Oc3cc(ccc3C2CCC(=O)O)O
Canonical SMILES	CACTVS	3.341	OC(=O)CC[C@H]1c2ccc(O)cc2Oc3cc(O)ccc13
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(cc1O)Oc3cc(ccc3C2CCC(=O)O)O
InChI	InChI	1.03	InChI=1S/C16H14O5/c17-9-1-3-12-11(5-6-16(19)20)13-4-2-10(18)8-15(13)21-14(12)7-9/h1-4,7-8,11,17-18H,5-6H2,(H,19,20)
InChIKey	InChI	1.03	PFQGLFBMMPZYEU-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB01644
Name	3,6-dihydroxy-xanthene-9-propionic acid
Groups	experimental
Synonyms	3,6-dihydroxy-xanthene-9-propionic acid

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Glutathione reductase, mitochondrial	MALLPRALSAGAGPSWRRAARAFRGFLLLLPEPAALTRALSRAMACRQEP...	unknown

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