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Chaetomugilin I
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
5-chloro-7-hydroxy-3-(4-hydroxy-3-methylpent-1-enyl)-7-methyl-8-(3-methyl-2-oxopent-3-enyl)-8H-isochromen-6-one
1 reference
based on heuristic
inferred from SMILES
mass
406.154701644
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(7S,8S)-5-chloro-7-hydroxy-3-[(3S,4R)-4-hydroxy-3-methylpent-1-enyl]-7-methyl-8-(3-methyl-2-oxopent-3-enyl)-8H-isochromen-6-one
1 reference
based on heuristic
inferred from InChI
11-epi-chaetomugilin I
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₂₇ClO₅
0 references
canonical SMILES
O=C(C(=CC)C)CC1C2=COC(C=CC(C)C(O)C)=CC2=C(Cl)C(=O)C1(O)C
0 references
isomeric SMILES
C/C=C(\C)/C(=O)C[C@H]1C2=COC(=CC2=C(C(=O)[C@@]1(C)O)Cl)/C=C/[C@@H](C)[C@@H](C)O
0 references
found in taxon
Chaetomium globosum
4 references
stated in
New class azaphilone produced by a marine fish-derived Chaetomium globosum. The stereochemistry and biological activities
stated in
Determination of the absolute configuration of chaetoviridins and other bioactive azaphilones from the endophytic fungus Chaetomium globosum
stated in
Chaetomugilins I–O, new potent cytotoxic metabolites from a marine-fish-derived Chaetomium species. Stereochemistry and biological activities
stated in
Chaetomugilins I–O, new potent cytotoxic metabolites from a marine-fish-derived Chaetomium species. Stereochemistry and biological activities
flathead mullet
1 reference
stated in
Chaetomugilins I–O, new potent cytotoxic metabolites from a marine-fish-derived Chaetomium species. Stereochemistry and biological activities
Identifiers
InChI
InChI=1S/C22H27ClO5/c1-6-12(2)19(25)10-18-17-11-28-15(8-7-13(3)14(4)24)9-16(17)20(23)21(26)22(18,5)27/h6-9,11,13-14,18,24,27H,10H2,1-5H3/b8-7+,12-6+/t13-,14-,18+,22+/m1/s1
0 references
InChIKey
BYFBAJVBSPNIFS-YJTDBNEFSA-N
2 references
stated in
PubChem
PubChem CID
44250025
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
44250025
language of work or name
English
PubChem CID
44250025
2 references
stated in
PubChem
PubChem CID
44250025
language of work or name
English
matched by identifier from
InChIKey
InChIKey
BYFBAJVBSPNIFS-YJTDBNEFSA-N
ChEBI ID
199006
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H27ClO5/c1-6-12(2)19(25)10-18-17-11-28-15(8-7-13(3)14(4)24)9-16(17)20(23)21(26)22(18,5)27/h6-9,11,13-14,18,24,27H,10H2,1-5H3/b8-7+,12-6+/t13-,14-,18+,22+/m1/s1
UniChem compound ID
1109087
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA001692
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BYFBAJVBSPNIFS-YJTDBNEFSA-N
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