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(Q77421148)
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calopin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-(2,3-Dihydroxy-4-methylphenyl)-3-hydroxy-5-methyloxan-2-one
1 reference
based on heuristic
inferred from SMILES
chemical structure
Calopin.svg
875 × 980; 27 KB
0 references
mass
252.099773612
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₆O₅
0 references
canonical SMILES
O=C1OCC(C)C(C2=CC=C(C(O)=C2O)C)C1O
0 references
isomeric SMILES
C[C@@H]1COC(=O)[C@H]([C@H]1C2=C(C(=C(C=C2)C)O)O)O
0 references
found in taxon
Boletus radicans
1 reference
stated in
Calopins and Cyclocalopins − Bitter Principles fromBoletus calopus and Related Mushrooms
Boletus coniferarum
1 reference
stated in
Calopins and Cyclocalopins − Bitter Principles fromBoletus calopus and Related Mushrooms
Butyriboletus peckii
1 reference
stated in
Calopins and Cyclocalopins − Bitter Principles fromBoletus calopus and Related Mushrooms
Caloboletus calopus
2 references
stated in
Free radical-scavenging delta-lactones from Boletus calopus
stated in
Calopins and Cyclocalopins − Bitter Principles fromBoletus calopus and Related Mushrooms
Caloboletus rubripes
1 reference
stated in
Calopins and Cyclocalopins − Bitter Principles fromBoletus calopus and Related Mushrooms
Caloboletus radicans
2 references
stated in
Calopins and Cyclocalopins − Bitter Principles fromBoletus calopus and Related Mushrooms
stated in
Anti-Staphylococcal Calopins from Fruiting Bodies of Caloboletus radicans.
Identifiers
InChI
InChI=1S/C13H16O5/c1-6-3-4-8(11(15)10(6)14)9-7(2)5-18-13(17)12(9)16/h3-4,7,9,12,14-16H,5H2,1-2H3/t7-,9-,12+/m1/s1
0 references
InChIKey
BUYWZUSDDLWZNM-GMEUVTARSA-N
2 references
stated in
PubChem
PubChem CID
11118539
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
11118539
language of work or name
English
PubChem CID
11118539
2 references
stated in
PubChem
PubChem CID
11118539
language of work or name
English
matched by identifier from
InChIKey
InChIKey
BUYWZUSDDLWZNM-GMEUVTARSA-N
ChEBI ID
204954
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C13H16O5/c1-6-3-4-8(11(15)10(6)14)9-7(2)5-18-13(17)12(9)16/h3-4,7,9,12,14-16H,5H2,1-2H3/t7-,9-,12+/m1/s1
ChEMBL ID
CHEMBL4176963
0 references
UniChem compound ID
32505429
1 reference
stated in
UniChem
NMRShiftDB structure ID
20234064
1 reference
matched by identifier from
InChIKey
InChIKey
BUYWZUSDDLWZNM-GMEUVTARSA-N
Natural Product Atlas ID
NPA008142
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BUYWZUSDDLWZNM-GMEUVTARSA-N
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