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(Q77571156)
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12-epi-hapalindole C isonitrile
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
3-(3-ethenyl-2-isocyano-3-methyl-6-prop-1-en-2-ylcyclohexyl)-1H-indole
1 reference
based on heuristic
inferred from SMILES
(1S,3S,4S)-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
mass
304.193948768
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
Hapalindole C
1 reference
based on heuristic
inferred from InChI
3-[(1R,2R,3S,6S)-3-ethenyl-2-isocyano-3-methyl-6-prop-1-en-2-ylcyclohexyl]-1H-indole
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₄N₂
0 references
canonical SMILES
[C-]#[N+]C1C(C2=CNC=3C=CC=CC32)C(C(=C)C)CCC1(C=C)C
0 references
isomeric SMILES
CC(=C)[C@H]1CC[C@@]([C@@H]([C@@H]1C2=CNC3=CC=CC=C32)[N+]#[C-])(C)C=C
0 references
found in taxon
Hapalosiphon welwitschii
3 references
stated in
Insecticidal activity of 12-epi-hapalindole J isonitrile.
stated in
Identification and characterization of a welwitindolinone alkaloid biosynthetic gene cluster in the stigonematalean Cyanobacterium Hapalosiphon welwitschii.
stated in
Fontonamide and anhydrohapaloxindole A, two new alkaloids from the blue-green alga Hapalosiphon fontinalis
Hapalosiphon
1 reference
stated in
New Hapalindoles from the Cyanophyte Hapalosiphon laingii
Fischerella
2 references
stated in
Welwitindolinones, Unusual Alkaloids from the Blue-Green Algae Hapalosiphon welwitschii and Westiella intricata. Relationship to Fischerindoles and Hapalinodoles
stated in
Insecticidal activity of 12-epi-hapalindole J isonitrile.
Identifiers
InChI
InChI=1S/C21H24N2/c1-6-21(4)12-11-15(14(2)3)19(20(21)22-5)17-13-23-18-10-8-7-9-16(17)18/h6-10,13,15,19-20,23H,1-2,11-12H2,3-4H3/t15-,19+,20-,21-/m1/s1
0 references
InChIKey
KGWATBYKCMCFLC-CGRMTHRGSA-N
2 references
stated in
PubChem
PubChem CID
21676627
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
21676627
language of work or name
English
PubChem CID
21676627
2 references
stated in
PubChem
PubChem CID
21676627
language of work or name
English
matched by identifier from
InChIKey
InChIKey
KGWATBYKCMCFLC-CGRMTHRGSA-N
ChEBI ID
222284
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H24N2/c1-6-21(4)12-11-15(14(2)3)19(20(21)22-5)17-13-23-18-10-8-7-9-16(17)18/h6-10,13,15,19-20,23H,1-2,11-12H2,3-4H3/t15-,19+,20-,21-/m1/s1
UniChem compound ID
62558266
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID501335671
1 reference
matched by identifier from
InChIKey
InChIKey
KGWATBYKCMCFLC-CGRMTHRGSA-N
Natural Product Atlas ID
NPA016387
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KGWATBYKCMCFLC-CGRMTHRGSA-N
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