Dehydelone
(4S,7R,8S,9S,10E,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione
Molecular Identity
Dehydelone
(4S,7R,8S,9S,10E,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione
PubChem CID: 6918835
2D Structure
Properties
C27H39NO5S
Molecular Formula
489.70
Molecular Weight
g/mol
489.2549
Exact Mass
Da
4.7
XLogP
Drug-like (Lipinski: < 5)
125
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
818
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
DehydeloneKOS-1584(E)-9,10-Didehydroepothilone D(E)-9,10-Dehydroepothilone D350493-61-7R-1645R16459,10-TRANS-DEHYDROEPOTHILONE D82481G197K(4S,7R,8S,9S,10E,13Z,16S)-4,8-Dihydroxy-5,5,7,9,13-pentamethyl-16-((E)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)vinyl)oxacyclohexadeca-10,13-diene-2,6-dioneDTXSID00870184(4S,7R,8S,9S,10E,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-((1E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl)-1-oxacyclohexadeca-10,13-diene-2,6-dione(4S,7R,8S,9S,10E,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dioneEpothilone KOS-1584RefChem:151431
Data from PubChem (NCBI)
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Drug Network
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