2,3-bis(3'-hydroxybenzyl)butyrolactone

From DrugPedia: A Wikipedia for Drug discovery

(Difference between revisions)
Jump to: navigation, search
Current revision (09:06, 19 February 2009) (edit) (undo)
 
(2 intermediate revisions not shown.)
Line 1: Line 1:
[http://172.141.127.22/raghava/hmrbase/test_extract.php?db=arun&table=nphormonet&id=1001&show=SHOW-3D Show 3-D Structure]
[http://172.141.127.22/raghava/hmrbase/test_extract.php?db=arun&table=nphormonet&id=1001&show=SHOW-3D Show 3-D Structure]
-
<table border='2'><tr><td>id</td><td>NPH101</td></tr><tr><td>pubchem_id</td><td>123917</td></tr><tr><td>name</td><td>2,3-bis(3'-hydroxybenzyl)butyrolactone </td></tr><tr><td>mol_wt</td><td>298.33</td></tr><tr><td>formula</td><td>C18H18O4</td></tr><tr><td>iupac</td><td>3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one</td></tr><tr><td>canonical_smile</td><td>C1C(C(C(=O)O1)CC2=CC(=CC=C2)O)CC3=CC(=CC=C3)O</td></tr><tr><td>receptor</td><td>Q9YHT3,P49884,P06212,Q91424,P57717,Q53AD2,Q9TV98,P03372,Q9YHZ7,P49886,Q9QZJ5,P57753,P19785,P16058,P50240,Q9YH33,P50241,O42132,Q29040,P06211,P50242,P49885,Q9PVZ9,Q91250,P81559,O19009,O46402,Q5XXP1,Q5YFR8,Q68J65,Q69F36,Q6DUZ2,Q6DUZ3,Q6R008,Q6S4P5,Q6S9F0,Q6TGB3,Q6V7J4,Q6W5G5,Q6W5G6,Q6W5G7,Q6W5G9,Q7T2K8,Q800Q2,Q804Q6,Q8AYH0,Q8CGK8,Q8QHL0,Q8WNW9,Q90WH6,Q90WV1,Q90X52,Q95L13,Q9DDZ4,Q9H2M1,Q9H2M2,Q9I984,Q9TUX3
+
{{Drugbox
-
</td></tr></table>
+
| IUPAC_name        = 3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one
 +
| CAS_number        =
 +
| CAS_supplemental  =
 +
| ATC_suffix = BA03
 +
| ATC_supplemental  =
 +
| PubChem          = 123917
 +
| ChemSpiderID      =
 +
| chemical_formula  =C<sub>18</sub>H<sub>18</sub>O<sub>4</sub>
 +
| molecular_weight  = 298.33
 +
| smiles            = C1C(C(C(=O)O1)CC2=CC(=CC=C2)O)CC3=CC(=CC=C3)O
 +
| synonyms          = Enterolactone
 +
| density          =
 +
| melting_point    =
 +
| boiling_point    =
 +
| solubility        =
 +
| specific_rotation =
 +
| sec_combustion    =
 +
| bioavailability  =
 +
| protein_bound    =
 +
| metabolism        =
 +
| elimination_half-life =
 +
| excretion        =
 +
| pregnancy_category=
 +
| dependency_liability =
 +
| routes_of_administration =
 +
}}
 +
==Description==
 +
lignan isolated from urine of humans and other mammals; RN given refers to cpd without isomeric designation; structure given in second source
 +
 
 +
[[category:Hormones]]

Current revision

Show 3-D Structure

2,3-bis(3'-hydroxybenzyl)butyrolactone
Systematic (IUPAC) name
3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one
Identifiers
CAS number  ?
ATC code  ?
PubChem 123917
Chemical data
Formula C18H18O4
Mol. mass 298.33
SMILES eMolecules & PubChem
Synonyms Enterolactone
Pharmacokinetic data
Bioavailability  ?
Metabolism  ?
Half life  ?
Excretion  ?
Therapeutic considerations
Pregnancy cat.

?

Legal status
Routes  ?

[edit] Description

lignan isolated from urine of humans and other mammals; RN given refers to cpd without isomeric designation; structure given in second source

Retrieved from "http://277988.efsst.group/drugpedia/index.php/2%2C3-bis%283%27-hydroxybenzyl%29butyrolactone"