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(Q77279190)
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Trichothecinol A
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
[(1R,2R,7R,10R,11S,12R)-10-hydroxy-1,2,5-trimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (Z)-but-2-enoate
1 reference
based on heuristic
inferred from SMILES
10'-hydroxy-1',2',5'-trimethyl-4'-oxo-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-11'-yl but-2-enoate
1 reference
based on heuristic
inferred from SMILES
mass
348.157288488
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(1S,2R,7R,9R,10R,11S,12S)-10-hydroxy-1,2,5-trimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] but-2-enoate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(1R,2R,7R,9R,10R,11S,12R)-10-hydroxy-1,2,5-trimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (Z)-but-2-enoate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₉H₂₄O₆
0 references
canonical SMILES
O=C(OC1C(O)C2OC3C=C(C(=O)CC3(C)C1(C)C42OC4)C)C=CC
0 references
isomeric SMILES
C/C=C\C(=O)O[C@@H]1[C@H]([C@@H]2[C@]3([C@]1([C@]4(CC(=O)C(=C[C@H]4O2)C)C)C)CO3)O
0 references
found in taxon
Holarrhena floribunda
3 references
stated in
Conessine isolated from Holarrhena floribunda
stated in
New trichothecenes isolated from Holarrhena floribunda.
stated in
New trichothecenes isolated from Holarrhena floribunda.
Trichothecium roseum
4 references
stated in
Trichothecinols A, B and C, potent anti-tumor promoting sesquiterpenoids from the fungus Trichothecium roseum
stated in
Trichothecinols A, B and C, potent anti-tumor promoting sesquiterpenoids from the fungus Trichothecium roseum
stated in
Trichothecinols A, B and C, potent anti-tumor promoting sesquiterpenoids from the fungus Trichothecium roseum
stated in
Cancer preventive potential of trichothecenes from Trichothecium roseum
Identifiers
InChI
InChI=1S/C19H24O6/c1-5-6-13(21)25-15-14(22)16-19(9-23-19)18(15,4)17(3)8-11(20)10(2)7-12(17)24-16/h5-7,12,14-16,22H,8-9H2,1-4H3/b6-5-/t12-,14-,15-,16-,17+,18-,19+/m1/s1
0 references
InChIKey
RVOJMELIZZNGBE-DUGZWPNFSA-N
2 references
stated in
PubChem
PubChem CID
10472929
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
10472929
language of work or name
English
PubChem CID
10472929
2 references
stated in
PubChem
PubChem CID
10472929
language of work or name
English
matched by identifier from
InChIKey
InChIKey
RVOJMELIZZNGBE-DUGZWPNFSA-N
ChEBI ID
200570
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H24O6/c1-5-6-13(21)25-15-14(22)16-19(9-23-19)18(15,4)17(3)8-11(20)10(2)7-12(17)24-16/h5-7,12,14-16,22H,8-9H2,1-4H3/b6-5-/t12-,14-,15-,16-,17+,18-,19+/m1/s1
UniChem compound ID
532570
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60871930
1 reference
matched by identifier from
InChIKey
InChIKey
RVOJMELIZZNGBE-DUGZWPNFSA-N
Natural Product Atlas ID
NPA003506
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RVOJMELIZZNGBE-DUGZWPNFSA-N
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