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Conglobatin C1

CAT: 0804-HY-158925-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-158925-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Conglobatin C1 is a bacterial metabolite and has anticancer activity. Conglobatin C1 is cytotoxic to NS-1 mouse myeloma cells (IC50 = 1.05 μg/mL) .
CAS Number
2673270-37-4
UNSPSC
12352005
Target
Endogenous Metabolite
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/conglobatin-c1.html
Smiles
O=C(/C(C)=C/CC[C@@H]([C@@H](OC(/C(C)=C/CC[C@@H]1C)=O)CC2=CN=CO2)C)O[C@H]1CC3=CN=CO3
Molecular Formula
C26H34N2O6
Molecular Weight
470.56
References & Citations
[1]Heather J Lacey, et al. Conglobatins B-E: cytotoxic analogues of the C2-symmetric macrodiolide conglobatin. J Antibiot (Tokyo) . 2020 Nov;73 (11) :756-765.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

(3Z,7S,8S,11Z,15S,16S)-3,7,11,15-tetramethyl-8,16-bis(1,3-oxazol-5-ylmethyl)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
CAS Number2673270-37-4
PubChem CID171042800
IUPAC Name(3Z,7S,8S,11Z,15S,16S)-3,7,11,15-tetramethyl-8,16-bis(1,3-oxazol-5-ylmethyl)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
Molecular FormulaC26H34N2O6
Molecular Weight470.6
XLogP5.4
Topological Polar Surface Area105
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity690
SMILES
C[C@@H]1[C@@H](OC(=O)/C(=C\CC[C@@H]([C@@H](OC(=O)/C(=C\CC1)/C)CC2=CN=CO2)C)/C)CC3=CN=CO3
InChI
InChI=1S/C26H34N2O6/c1-17-7-5-9-19(3)26(30)34-24(12-22-14-28-16-32-22)18(2)8-6-10-20(4)25(29)33-23(17)11-21-13-27-15-31-21/h9-10,13-18,23-24H,5-8,11-12H2,1-4H3/b19-9-,20-10-/t17-,18-,23-,24-/m0/s1
InChIKey
LVEHBOBGUJZZBO-YGVXKGOHSA-N
Chemical Structure
2D Structure
2D structure of (3Z,7S,8S,11Z,15S,16S)-3,7,11,15-tetramethyl-8,16-bis(1,3-oxazol-5-ylmethyl)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
CAS: 2673270-37-4
CID: 171042800
Formula: C26H34N2O6
MW: 470.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.6
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass470.24168681
Monoisotopic Mass470.24168681
Topological Polar Surface Area105 Ų
Heavy Atom Count34
Formal Charge0
Complexity690
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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