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(Q77568715)
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12-epi-hapalindole E
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
(1S,3S,4S,6R)-6-chloro-1-ethenyl-3-(1H-indol-3-yl)-2-isocyano-1-methyl-4-(prop-1-en-2-yl)cyclohexane
1 reference
based on heuristic
inferred from SMILES
3-(4-chloro-3-ethenyl-2-isocyano-3-methyl-6-prop-1-en-2-ylcyclohexyl)-1H-indole
1 reference
based on heuristic
inferred from SMILES
mass
338.154976416
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Hapalindole E
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₃ClN₂
0 references
canonical SMILES
[C-]#[N+]C1C(C2=CNC=3C=CC=CC32)C(C(=C)C)CC(Cl)C1(C=C)C
0 references
isomeric SMILES
CC(=C)[C@H]1C[C@H]([C@@]([C@@H]([C@@H]1C2=CNC3=CC=CC=C32)[N+]#[C-])(C)C=C)Cl
0 references
found in taxon
Hapalosiphon
2 references
stated in
New Hapalindoles from the Cyanophyte Hapalosiphon laingii
stated in
Insecticidal activity of 12-epi-hapalindole J isonitrile.
Hapalosiphon welwitschii
1 reference
stated in
Fontonamide and anhydrohapaloxindole A, two new alkaloids from the blue-green alga Hapalosiphon fontinalis
Fischerella
1 reference
stated in
Insecticidal activity of 12-epi-hapalindole J isonitrile.
Identifiers
InChI
InChI=1S/C21H23ClN2/c1-6-21(4)18(22)11-15(13(2)3)19(20(21)23-5)16-12-24-17-10-8-7-9-14(16)17/h6-10,12,15,18-20,24H,1-2,11H2,3-4H3/t15-,18-,19+,20-,21-/m1/s1
0 references
InChIKey
IJEJDCXOVNHHAX-CMWLGVBASA-N
2 references
stated in
PubChem
PubChem CID
101677549
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
101677549
language of work or name
English
PubChem CID
101677549
2 references
stated in
PubChem
PubChem CID
101677549
language of work or name
English
matched by identifier from
InChIKey
InChIKey
IJEJDCXOVNHHAX-CMWLGVBASA-N
ChEBI ID
220080
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H23ClN2/c1-6-21(4)18(22)11-15(13(2)3)19(20(21)23-5)16-12-24-17-10-8-7-9-14(16)17/h6-10,12,15,18-20,24H,1-2,11H2,3-4H3/t15-,18-,19+,20-,21-/m1/s1
UniChem compound ID
97823185
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA015996
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IJEJDCXOVNHHAX-CMWLGVBASA-N
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