HFL

5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-BENZENE-1,2-DIOL

Created:	2002-02-12
Last modified:	2011-06-04

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1 entries where HFL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	6

2D diagram of HFL

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Chemical Component Summary
Name	5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-BENZENE-1,2-DIOL
Systematic Name (OpenEye OEToolkits)	5-[(E)-3,3-dihydroxyprop-1-enyl]-3-methoxy-benzene-1,2-diol
Formula	C₁₀ H₁₂ O₅
Molecular Weight	212.199
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O(c1cc(cc(O)c1O)/C=C/C(O)O)C
SMILES	CACTVS	3.341	COc1cc(C=CC(O)O)cc(O)c1O
SMILES	OpenEye OEToolkits	1.5.0	COc1cc(cc(c1O)O)C=CC(O)O
Canonical SMILES	CACTVS	3.341	COc1cc(\C=C\C(O)O)cc(O)c1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	COc1cc(cc(c1O)O)\C=C\C(O)O
InChI	InChI	1.03	InChI=1S/C10H12O5/c1-15-8-5-6(2-3-9(12)13)4-7(11)10(8)14/h2-5,9,11-14H,1H3/b3-2+
InChIKey	InChI	1.03	QQVLKPZAOPJJCB-NSCUHMNNSA-N

Drug Info: DrugBank

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

DrugBank ID	DB04449
Name	5-(3,3-Dihydroxypropeny)-3-Methoxy-Benzene-1,2-Diol
Groups	experimental
Synonyms	5-(3,3-Dihydroxypropeny)-3-Methoxy-Benzene-1,2-Diol

Related Resource References

Resource Name	Reference
PubChem	5288545

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.