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(Q77372283)
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Isochromophilone IV
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
Isochromophilone VIII
1 reference
based on heuristic
inferred from SMILES
[5-chloro-3-(3,5-dimethylhepta-1,3-dienyl)-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1H-isochromen-8-yl] acetate
1 reference
based on heuristic
inferred from SMILES
5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dien-1-yl]-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1H-isochromen-8-yl acetate
1 reference
based on heuristic
inferred from SMILES
mass
394.154701644
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(7R,8S,8aS)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1H-isochromen-8-yl] acetate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₇ClO₅
0 references
canonical SMILES
O=C(OC1C2C(C=C(OC2)C=CC(=CC(C)CC)C)=C(Cl)C(=O)C1(O)C)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)OC(=O)C)(C)O)Cl
0 references
found in taxon
Penicillium multicolor
4 references
stated in
Isochromophilones III-VI, inhibitors of acyl-CoA:cholesterol acyltransferase produced by Penicillium multicolor FO-3216
stated in
New isochromophilones VII and VIII produced by Penicillium sp. FO-4164
stated in
Isochromophilones III-VI, inhibitors of acyl-CoA:cholesterol acyltransferase produced by Penicillium multicolor FO-3216
stated in
Isochromophilones III-VI, inhibitors of acyl-CoA:cholesterol acyltransferase produced by Penicillium multicolor FO-3216
Identifiers
InChI
InChI=1S/C21H27ClO5/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-26-15)20(27-14(4)23)21(5,25)19(24)18(16)22/h7-10,12,17,20,25H,6,11H2,1-5H3/b8-7+,13-9+/t12-,17-,20+,21-/m0/s1
0 references
InChIKey
MMOJJYPBNVVCGY-CTQGMABPSA-N
2 references
stated in
PubChem
PubChem CID
6451122
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
6451122
language of work or name
English
PubChem CID
6451122
1 reference
stated in
PubChem
PubChem CID
6451122
language of work or name
English
ChEBI ID
202589
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H27ClO5/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-26-15)20(27-14(4)23)21(5,25)19(24)18(16)22/h7-10,12,17,20,25H,6,11H2,1-5H3/b8-7+,13-9+/t12-,17-,20+,21-/m0/s1
UniChem compound ID
17954305
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA005408
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MMOJJYPBNVVCGY-CTQGMABPSA-N
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