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(Q77569462)
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English
9-deacetylfumigaclavine C
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
7,9-dimethyl-5-(2-methylbut-3-en-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-10-ol
1 reference
based on heuristic
inferred from SMILES
mass
324.220163516
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Fumigaclavine F
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Fumigaclavine E
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₈N₂O
0 references
canonical SMILES
OC1C2C=3C=CC=C4NC(=C(C43)CC2N(C)CC1C)C(C=C)(C)C
0 references
isomeric SMILES
C[C@H]1CN([C@@H]2CC3=C(NC4=CC=CC(=C34)[C@H]2[C@H]1O)C(C)(C)C=C)C
0 references
found in taxon
Isaria tenuipes
1 reference
stated in
Isariotins E and F, spirocyclic and bicyclic hemiacetals from the entomopathogenic fungus Isaria tenuipes BCC 12625.
Aspergillus fumigatus
2 references
stated in
Bioactive alkaloids from endophytic Aspergillus fumigatus
stated in
Bioactive alkaloids from endophytic Aspergillus fumigatus
Cordyceps tenuipes
1 reference
stated in
Isariotins E and F, spirocyclic and bicyclic hemiacetals from the entomopathogenic fungus Isaria tenuipes BCC 12625.
Identifiers
InChI
InChI=1S/C21H28N2O/c1-6-21(3,4)20-14-10-16-18(19(24)12(2)11-23(16)5)13-8-7-9-15(22-20)17(13)14/h6-9,12,16,18-19,22,24H,1,10-11H2,2-5H3/t12-,16+,18+,19-/m0/s1
0 references
InChIKey
VCXCXXJJHZVDSD-GJGHSUIPSA-N
2 references
stated in
PubChem
PubChem CID
42640472
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
42640472
language of work or name
English
PubChem CID
42640472
2 references
stated in
PubChem
PubChem CID
42640472
language of work or name
English
matched by identifier from
InChIKey
InChIKey
VCXCXXJJHZVDSD-GJGHSUIPSA-N
ChEBI ID
220753
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H28N2O/c1-6-21(3,4)20-14-10-16-18(19(24)12(2)11-23(16)5)13-8-7-9-15(22-20)17(13)14/h6-9,12,16,18-19,22,24H,1,10-11H2,2-5H3/t12-,16+,18+,19-/m0/s1
UniChem compound ID
98046
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA016119
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VCXCXXJJHZVDSD-GJGHSUIPSA-N
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