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cyclocalopin A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2,6'-Dihydroxy-2,2',4-trimethylspiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1',7-dione
1 reference
based on heuristic
inferred from SMILES
chemical structure
Cyclocalopin.svg
890 × 940; 33 KB
0 references
mass
296.12598836
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2R,3S,3aR,4S,6'R,7aS)-2,6'-dihydroxy-2,2',4-trimethylspiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1',7-dione
1 reference
based on heuristic
inferred from InChI
(2R,3R,3aR,4S,6'S,7aS)-2,6'-dihydroxy-2,2',4-trimethylspiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1',7-dione
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₀O₆
0 references
canonical SMILES
O=C1OCC(C)C2C1OC(O)(C)C32CC=C(C(=O)C3O)C
0 references
isomeric SMILES
C[C@@H]1COC(=O)[C@@H]2[C@H]1[C@]3(CC=C(C(=O)[C@H]3O)C)[C@](O2)(C)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/C15H20O6/c1-7-4-5-15(12(17)10(7)16)9-8(2)6-20-13(18)11(9)21-14(15,3)19/h4,8-9,11-12,17,19H,5-6H2,1-3H3/t8-,9+,11+,12-,14-,15+/m1/s1
0 references
InChIKey
OGOHSCJKRSLFLO-UOMAJYNRSA-N
0 references
CAS Registry Number
486430-94-8
1 reference
InChIKey
OGOHSCJKRSLFLO-UOMAJYNRSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=486430-94-8
PubChem CID
10913461
1 reference
matched by identifier from
InChIKey
InChIKey
OGOHSCJKRSLFLO-UOMAJYNRSA-N
ChEBI ID
174819
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H20O6/c1-7-4-5-15(12(17)10(7)16)9-8(2)6-20-13(18)11(9)21-14(15,3)19/h4,8-9,11-12,17,19H,5-6H2,1-3H3/t8-,9+,11+,12-,14-,15+/m1/s1
UniChem compound ID
33235105
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID801100112
1 reference
matched by identifier from
InChIKey
InChIKey
OGOHSCJKRSLFLO-UOMAJYNRSA-N
Natural Product Atlas ID
NPA006087
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OGOHSCJKRSLFLO-UOMAJYNRSA-N
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