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(Q74418298)
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3beta-hydroxyparthenolide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
sesquiterpenoid
0 references
5-Hydroxy-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
1 reference
based on heuristic
inferred from SMILES
mass
264.13615912
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,2S,4R,5S,7E,11S)-5-hydroxy-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₀O₄
0 references
canonical SMILES
O=C1OC2C3OC3(C)C(O)CC=C(C)CCC2C1=C
0 references
isomeric SMILES
C/C/1=C\C[C@@H]([C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C)O
0 references
found in taxon
Schistostephium crataegifolium
1 reference
stated in
Sesquiterpene lactones and other constituents from Schistostephium species
Identifiers
InChI
InChI=1S/C15H20O4/c1-8-4-6-10-9(2)14(17)18-12(10)13-15(3,19-13)11(16)7-5-8/h5,10-13,16H,2,4,6-7H2,1,3H3/b8-5+/t10-,11-,12-,13+,15+/m0/s1
0 references
InChIKey
BBXAUSVGMAQCDJ-RCOKYBRUSA-N
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
138911145
1 reference
matched by identifier from
InChIKey
InChIKey
BBXAUSVGMAQCDJ-RCOKYBRUSA-N
ChEBI ID
144561
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H20O4/c1-8-4-6-10-9(2)14(17)18-12(10)13-15(3,19-13)11(16)7-5-8/h5,10-13,16H,2,4,6-7H2,1,3H3/b8-5+/t10-,11-,12-,13+,15+/m0/s1
UniChem compound ID
154137005
1 reference
stated in
UniChem
KNApSAcK ID
C00063167
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BBXAUSVGMAQCDJ-RCOKYBRUSA-N
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