General Information of the Compound
| Compound ID |
CP0099943
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| Compound Name |
(2R,3S)-3-((4E,7E)-Nona-4,7-dienoyl)-oxirane-2-carboxylic acid amide
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| Synonyms |
(2R,3S)-2,3-Epoxy-4-oxo-7E,10E-dodecadienamide
(2R,3S)-3-((4E,7E)-Nona-4,7-dienoyl)-oxirane-2-carboxylic acid amide
(2R,3S)-3-((4E,7E)-nona-4,7-dienoyl)oxirane-2-carboxamide
(2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide
(2R,3S)-3-nona-4,7-dienoyloxirane-2-carboxamide
(2R,3S,E,E)-2,3-Epoxy-4-oxo-7,10-dodecadienamide
(2R-(2alpha,3alpha(4E,7E)))-3-(1-Oxonona-4,7-dienyl)oxirane-2-carboxamide
(2S)(3R)-2,3-Epoxy-4-oxo-7,10-dodecadienoylamide
(2S,3R)-2,3-epoxy-4-oxy-7,10-dodecadienoylamide
(2r,3s)-3-(nona-4,7-dienoyl)oxirane-2-carboxamide
2,3-Epoxy-4-oxo-7,10-dodecadienamide
2,3-Epoxy-4-oxo-7,10-dodecadienoylamide
3-(1-Oxo-4,7-nonadienyl)oxiranecarboxamide
3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide
3-nona-4,7-dienoyloxirane-2-carboxamide
Cerulenin
Cerulenin, Cephalosporium caerulens
Helicocerin
Oxiranecarboxamide, 3-(1-oxo-4,7-nonadienyl)-, (2R-(2-alpha,3-alpha(4E,7E)))-(9CI)
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| Structure |
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| Formula |
C12H17NO3
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| Molecular Weight |
223.272
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| Canonical SMILES |
C\C=C\C\C=C\CCC(=O)[C@H]1O[C@H]1C(N)=O
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| InChI |
InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1
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| InChIKey |
GVEZIHKRYBHEFX-NQQPLRFYSA-N
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| CAS |
17397-89-6
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Clinical Information about the Compound