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Isochromophilone III
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(7S,8R,8aR)-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one
1 reference
based on heuristic
inferred from SMILES
5-chloro-3-(3,5-dimethylhepta-1,3-dienyl)-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one
1 reference
based on heuristic
inferred from SMILES
mass
352.14413696
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(7R,8R,8aS)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(8S,8a-R)-7-Deacetyl-1,O8,8,8a-tetrahydro-7-epi-sclerotiorin
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
8-epi-isochromophilone III
1 reference
based on heuristic
inferred from InChI
(7R,8S,8aS)-5-chloro-3-[(1E,3E,5R)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₉H₂₅ClO₄
0 references
canonical SMILES
O=C1C(Cl)=C2C=C(OCC2C(O)C1(O)C)C=CC(=CC(C)CC)C
0 references
isomeric SMILES
CC[C@H](C)/C=C(\C)/C=C/C1=CC2=C(C(=O)[C@]([C@@H]([C@H]2CO1)O)(C)O)Cl
0 references
found in taxon
Penicillium multicolor
1 reference
stated in
Isochromophilones III-VI, inhibitors of acyl-CoA:cholesterol acyltransferase produced by Penicillium multicolor FO-3216
Penicillium sclerotiorum
1 reference
stated in
Azapbilones with Endothelin Receptor Binding Activity Produced by Penicillium sclerotiorum: Taxonomy, Fermentation, Isolation, Structure Elucidation and Biological Activity
Identifiers
InChI
InChI=1S/C19H25ClO4/c1-5-11(2)8-12(3)6-7-13-9-14-15(10-24-13)17(21)19(4,23)18(22)16(14)20/h6-9,11,15,17,21,23H,5,10H2,1-4H3/b7-6+,12-8+/t11-,15-,17+,19+/m0/s1
0 references
InChIKey
GJRRBURMULHWIH-WPHCLLNESA-N
0 references
PubChem CID
6450548
1 reference
matched by identifier from
InChIKey
InChIKey
GJRRBURMULHWIH-WPHCLLNESA-N
ChEBI ID
201973
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H25ClO4/c1-5-11(2)8-12(3)6-7-13-9-14-15(10-24-13)17(21)19(4,23)18(22)16(14)20/h6-9,11,15,17,21,23H,5,10H2,1-4H3/b7-6+,12-8+/t11-,15-,17+,19+/m0/s1
UniChem compound ID
56673235
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA004706
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GJRRBURMULHWIH-WPHCLLNESA-N
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