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(Q77559079)
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English
Jesterone
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
5-Hydroxy-4-(hydroxymethyl)-1-(3-methylbut-2-enyl)-3-prop-1-enyl-7-oxabicyclo[4.1.0]hept-3-en-2-one
1 reference
based on heuristic
inferred from SMILES
mass
264.13615912
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(-)-Jesterone
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₀O₄
0 references
canonical SMILES
O=C1C(C=CC)=C(CO)C(O)C2OC12CC=C(C)C
0 references
isomeric SMILES
C/C=C/C1=C(CO)[C@H](O)[C@H]2O[C@@]2(CC=C(C)C)C1=O
0 references
found in taxon
Pestalotiopsis jesteri
1 reference
stated in
Jesterone and hydroxy-jesterone antioomycete cyclohexenone epoxides from the endophytic fungus Pestalotiopsis jesteri
Identifiers
InChI
InChI=1S/C15H20O4/c1-4-5-10-11(8-16)12(17)14-15(19-14,13(10)18)7-6-9(2)3/h4-6,12,14,16-17H,7-8H2,1-3H3/b5-4+/t12-,14+,15-/m0/s1
0 references
InChIKey
IIGGBGHNVOFBQW-ZQUADUEKSA-N
2 references
stated in
PubChem
PubChem CID
10515747
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
10515747
language of work or name
English
PubChem CID
10515747
2 references
stated in
PubChem
PubChem CID
10515747
language of work or name
English
matched by identifier from
InChIKey
InChIKey
IIGGBGHNVOFBQW-ZQUADUEKSA-N
ChEBI ID
212553
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H20O4/c1-4-5-10-11(8-16)12(17)14-15(19-14,13(10)18)7-6-9(2)3/h4-6,12,14,16-17H,7-8H2,1-3H3/b5-4+/t12-,14+,15-/m0/s1
UniChem compound ID
32330125
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA014563
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IIGGBGHNVOFBQW-ZQUADUEKSA-N
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