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(Q104393970)
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isoglycycoumarin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
6C-substituted 3-phenylcoumarin
0 references
6C-prenylarylcoumarin
0 references
mass
368.12598836
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₀O₆
0 references
canonical SMILES
O=C1OC=2C=C3OC(C)(C)CCC3=C(OC)C2C=C1C=4C=CC(O)=CC4O
0 references
found in taxon
Glycyrrhiza uralensis
4 references
stated in
Determinatin of nine flavonoids and coumarins in licorice root by high-performance liquid chromatography
stated in
Minor flavonoids from licorice
stated in
Phenolic Constituents of Liquorice. VII. A New Chalcone with a Potent Radical Scavenging Activity and Accompanying Phenolics from Liquorice.
stated in
Prenylflavonoids from Glycyrrhiza uralensis and their protein tyrosine phosphatase-1B inhibitory activities
liquorice
1 reference
stated in
Determinatin of nine flavonoids and coumarins in licorice root by high-performance liquid chromatography
Glycyrrhiza inflata
1 reference
stated in
Determinatin of nine flavonoids and coumarins in licorice root by high-performance liquid chromatography
Identifiers
InChI
InChI=1S/C21H20O6/c1-21(2)7-6-13-18(27-21)10-17-15(19(13)25-3)9-14(20(24)26-17)12-5-4-11(22)8-16(12)23/h4-5,8-10,22-23H,6-7H2,1-3H3
0 references
InChIKey
PHHAXWBLJNBVNS-UHFFFAOYSA-N
0 references
CAS Registry Number
117038-82-1
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
14187587
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PHHAXWBLJNBVNS-UHFFFAOYSA-N
ChEBI ID
175735
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H20O6/c1-21(2)7-6-13-18(27-21)10-17-15(19(13)25-3)9-14(20(24)26-17)12-5-4-11(22)8-16(12)23/h4-5,8-10,22-23H,6-7H2,1-3H3
UniChem compound ID
32012004
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID701115603
1 reference
matched by identifier from
InChIKey
InChIKey
PHHAXWBLJNBVNS-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0038873
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PHHAXWBLJNBVNS-UHFFFAOYSA-N
KNApSAcK ID
C00010041
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PHHAXWBLJNBVNS-UHFFFAOYSA-N
LIPID MAPS ID
LMPK12160020
1 reference
InChIKey
PHHAXWBLJNBVNS-UHFFFAOYSA-N
stated in
LIPID MAPS
retrieved
17 April 2021
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
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