(+)-Migrastatin (CED0013028)

Record Information
Version1.0
Creation Date2026-04-06 03:33:06 UTC
Update Date2026-04-06 03:33:06 UTC
Accession NumberCHEM116906
Identification
Common Name(+)-Migrastatin
ClassSmall Molecule
Description
(+)-Migrastatin belongs to the macrolides and analogues, a class of phenylpropanoids and polyketides within the organic compounds. This compound has the chemical formula C27H39NO7 and an average molecular weight of 489.61 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC27H39NO7
Average Molecular Mass489.609 g/mol
Monoisotopic Mass489.273 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILES[H][C@@]1(OC(=O)C=CCCC=C[C@H](OC)[C@@H](O)[C@H](C)C=C1C)[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1
InChI IdentifierInChI=1S/C27H39NO7/c1-17-14-18(2)27(35-25(32)13-8-6-5-7-12-22(34-4)26(17)33)19(3)21(29)11-9-10-20-15-23(30)28-24(31)16-20/h7-8,12-14,17,19-20,22,26-27,33H,5-6,9-11,15-16H2,1-4H3,(H,28,30,31)/b12-7+,13-8+,18-14-/t17-,19-,22+,26+,27+/m1/s1
InChI KeyOGYMUMAKGYYNHV-IJMHZYIBSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
3946.0Log mg/kg[2200:7000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureEndoplasminP41148Canis lupus familiarisPredicted (SEA)18.9952
Heat shock protein HSP 90-alpha structureClick to view 3D structureHeat shock protein HSP 90-alphaP07900HumansPredicted (SEA)371.73
Heat shock protein HSP 90-beta structureClick to view 3D structureHeat shock protein HSP 90-betaP08238HumansPredicted (SEA)28.8042
V-type proton ATPase subunit S1 structureClick to view 3D structureV-type proton ATPase subunit S1Q15904HumansPredicted (SEA)0.233548
Tubulin--tyrosine ligase structureClick to view 3D structureTubulin--tyrosine ligaseQ8NG68HumansPredicted (SEA)0.233548
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)2907.98
3-hydroxy-3-methylglutaryl-coenzyme A reductase structureClick to view 3D structure3-hydroxy-3-methylglutaryl-coenzyme A reductaseP04035HumansPredicted (SEA)106.42
Click to view 3D structureSerine/threonine-protein phosphatase 4 catalytic subunitP60510HumansPredicted (SEA)0.311397
P2X purinoceptor 3 structureClick to view 3D structureP2X purinoceptor 3P56373HumansPredicted (SEA)603.643
Click to view 3D structure3-hydroxy-3-methylglutaryl-coenzyme A reductaseP51639Rattus norvegicusPredicted (SEA)94.4311
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)5565.13
ATP-dependent translocase ABCB1 structureClick to view 3D structureATP-dependent translocase ABCB1P08183HumansPredicted (SEA)3454.64
Lysine-specific demethylase 4B structureClick to view 3D structureLysine-specific demethylase 4BO94953HumansPredicted (SEA)405.439
Click to view 3D structureV-type proton ATPase subunit CQ9U5N1Manduca sextaPredicted (SEA)0.934191
Click to view 3D structureATP-dependent clpX-like chaperone, mitochondrialO76031HumansPredicted (SEA)17.9832
Lysine-specific demethylase 4C structureClick to view 3D structureLysine-specific demethylase 4CQ9H3R0HumansPredicted (SEA)2252.8
Lysine-specific demethylase 6B structureClick to view 3D structureLysine-specific demethylase 6BO15054HumansPredicted (SEA)900.871
Click to view 3D structureATP synthase subunit beta, mitochondrialP00830Saccharomyces cerevisiae S288cPredicted (SEA)0.934191
Solute carrier organic anion transporter family member 1B1 structureClick to view 3D structureSolute carrier organic anion transporter family member 1B1Q9Y6L6HumansPredicted (SEA)1730.98
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)4183.69
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)4192.26
Receptor tyrosine-protein kinase erbB-2 structureClick to view 3D structureReceptor tyrosine-protein kinase erbB-2P04626HumansPredicted (SEA)6575.61
Platelet-derived growth factor receptor alpha structureClick to view 3D structurePlatelet-derived growth factor receptor alphaP16234HumansPredicted (SEA)6332.26
Lysine-specific demethylase 5A structureClick to view 3D structureLysine-specific demethylase 5AP29375HumansPredicted (SEA)1450.1
Click to view 3D structureProtein deacetylase HDAC6Q9Z2V5Mus musculusPredicted (SEA)738.633
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available