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(Q104935465)
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English
Ivangustin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
8-hydroxy-5,8a-dimethyl-3-methylidene-4,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
1 reference
based on heuristic
inferred from SMILES
8-epi-Ivangustin
1 reference
based on heuristic
inferred from SMILES
mass
248.1412445
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3aR)-3aalpha,4,6,7,8,8a,9,9abeta-Octahydro-5,8abeta-dimethyl-8beta-hydroxy-3-methylenenaphtho[2,3-b]furan-2(3H)-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₀O₃
0 references
canonical SMILES
O=C1OC2CC3(C(=C(C)CCC3O)CC2C1=C)C
0 references
isomeric SMILES
C=C1C(=O)O[C@@H]2C[C@]3(C)C(=C(C)CC[C@H]3O)C[C@H]12
0 references
found in taxon
Eriocephalus africanus
1 reference
stated in
Sesquiterpene lactones and other constituents from Eriocephalus species
Eriocephalus scariosus
1 reference
stated in
Sesquiterpene lactones and other constituents from Eriocephalus species
Iva asperifolia var. angustifolia
1 reference
stated in
Constituents of Iva species. IX. Ivangulin, a novel seco-eudesmanolide from Iva angustifolia
Inula japonica
2 references
stated in
Sesquiterpenoids from the Aerial Parts of Inula japonica
stated in
New sesquiterpenes from Inula japonica Thunb. with their inhibitory activities against LPS-induced NO production in RAW264.7 macrophages
Inula britannica
2 references
stated in
Sesquiterpenoids from the Aerial Parts of Inula japonica
stated in
New sesquiterpenes from Inula japonica Thunb. with their inhibitory activities against LPS-induced NO production in RAW264.7 macrophages
Pentanema britannicum
2 references
stated in
New sesquiterpenes from Inula japonica Thunb. with their inhibitory activities against LPS-induced NO production in RAW264.7 macrophages
stated in
Sesquiterpenoids from the Aerial Parts of Inula japonica
Identifiers
InChI
InChI=1S/C15H20O3/c1-8-4-5-13(16)15(3)7-12-10(6-11(8)15)9(2)14(17)18-12/h10,12-13,16H,2,4-7H2,1,3H3/t10-,12-,13-,15-/m1/s1
0 references
InChIKey
BGEGQRAHHFWWJT-BPGGGUHBSA-N
0 references
PubChem CID
13895670
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BGEGQRAHHFWWJT-BPGGGUHBSA-N
UniChem compound ID
101168800
1 reference
stated in
UniChem
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