8L8

(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(Z)-3-(4-phenylphenyl)prop-2-enyl]oxane-3,4,5-triol

Created:	2015-07-31
Last modified:	2016-03-09

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1 entries where 8L8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	5
Bond Count	52
Aromatic Bond Count	12

2D diagram of 8L8

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Chemical Component Summary
Name	(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(Z)-3-(4-phenylphenyl)prop-2-enyl]oxane-3,4,5-triol
Systematic Name (OpenEye OEToolkits)	(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(Z)-3-(4-phenylphenyl)prop-2-enyl]oxane-3,4,5-triol
Formula	C₂₁ H₂₄ O₅
Molecular Weight	356.412
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC[CH]1O[CH](CC=Cc2ccc(cc2)c3ccccc3)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)c2ccc(cc2)C=CCC3C(C(C(C(O3)CO)O)O)O
Canonical SMILES	CACTVS	3.385	OC[C@H]1O[C@H](C\C=C/c2ccc(cc2)c3ccccc3)[C@@H](O)[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)c2ccc(cc2)/C=C\C[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI	InChI	1.03	InChI=1S/C21H24O5/c22-13-18-20(24)21(25)19(23)17(26-18)8-4-5-14-9-11-16(12-10-14)15-6-2-1-3-7-15/h1-7,9-12,17-25H,8,13H2/b5-4-/t17-,18-,19-,20-,21-/m1/s1
InChIKey	InChI	1.03	LCHHZYSXLCTOOA-HUGGVCKESA-N

Related Resource References

Resource Name	Reference
PubChem	118796341

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.