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(Q77504848)
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Hydroxy-jesterone
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
5-hydroxy-1-(1-hydroxy-3-methylbut-2-en-1-yl)-4-(hydroxymethyl)-3-(prop-1-en-1-yl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
1 reference
based on heuristic
inferred from SMILES
mass
280.13107374
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Rosnecatrone
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₀O₅
0 references
canonical SMILES
O=C1C(C=CC)=C(CO)C(O)C2OC12C(O)C=C(C)C
0 references
isomeric SMILES
C/C=C/C1=C(CO)[C@H](O)[C@H]2O[C@@]2([C@H](O)C=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/C15H20O5/c1-4-5-9-10(7-16)12(18)14-15(20-14,13(9)19)11(17)6-8(2)3/h4-6,11-12,14,16-18H,7H2,1-3H3/b5-4+/t11-,12+,14-,15+/m1/s1
0 references
InChIKey
BVDWYNXYKLDKKP-LSHLVPIFSA-N
2 references
stated in
PubChem
PubChem CID
636983
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
636983
language of work or name
English
PubChem CID
636983
2 references
stated in
PubChem
PubChem CID
636983
language of work or name
English
matched by identifier from
InChIKey
InChIKey
BVDWYNXYKLDKKP-LSHLVPIFSA-N
ChEBI ID
220743
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H20O5/c1-4-5-9-10(7-16)12(18)14-15(20-14,13(9)19)11(17)6-8(2)3/h4-6,11-12,14,16-18H,7H2,1-3H3/b5-4+/t11-,12+,14-,15+/m1/s1
UniChem compound ID
32406871
1 reference
stated in
UniChem
NMRShiftDB structure ID
6604
1 reference
matched by identifier from
InChIKey
InChIKey
BVDWYNXYKLDKKP-LSHLVPIFSA-N
Natural Product Atlas ID
NPA011729
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BVDWYNXYKLDKKP-LSHLVPIFSA-N
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