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(-) -Integerrimine

CAT: 0804-HY-122772Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-122772Size:1 mg
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Description
(-) -Integerrimine, a pyrrolizidine alkaloid, has antiulcerogenic activity. (-) -Integerrimine is also a mutagenic and weakly clastogenic agent in Drosophila[1][2].
CAS Number
480-79-5
UNSPSC
12352005
Hazard Statement
H300+H310+H330
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/minus-integerrimine.html
Solubility
10 mM in DMSO
Smiles
O=C1O[C@@]2([H])[C@]3([H])N(CC=C3COC([C@](O)([C@@H](C/C1=C\C)C)C)=O)CC2
Molecular Formula
C18H25NO5
Molecular Weight
335.39
Precautions
P260-P262-P264-P270-P271-P280-P284-P302+P352-P304+P340-P330-P361+P364-P403+P233-P405-P501
References & Citations
[1]V R Campesato, et al. Recombinagenic activity of integerrimine, a pyrrolizidine alkaloid from Senecio brasiliensis, in somatic cells of Drosophila melanogaster. Environ Mol Mutagen. 1997;29 (1) :91-7.|[2]Walber Toma, et al. Modulation of gastrin and epidermal growth factor by pyrrolizidine alkaloids obtained from Senecio brasiliensis in acute and chronic induced gastric ulcers. Can J Physiol Pharmacol. 2004 May;82 (5) :319-25.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Integerrimine

Integerrimine is a macrolide.

CAS Number480-79-5
PubChem CID5281733
IUPAC Name(1R,4E,6R,7R,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
Molecular FormulaC18H25NO5
Molecular Weight335.4
XLogP1.1
Topological Polar Surface Area76.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count24
Formal Charge0
Complexity611
SMILES
C/C=C/1\C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)C
InChI
InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4+/t11-,14-,15-,18-/m1/s1
InChIKey
HKODIGSRFALUTA-IKZAEVNJSA-N
Chemical Structure
2D Structure
2D structure of Integerrimine
CAS: 480-79-5
CID: 5281733
Formula: C18H25NO5
MW: 335.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.4
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass335.17327290
Monoisotopic Mass335.17327290
Topological Polar Surface Area76.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity611
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M31071-01Integerrimine
GTR19183419(-) -Integerrimine
AR-I03714-01Integerrimine-d3
452398-01Integerrimine N-oxide
AR-I03715-01Integerrimine-d3 N-Oxide

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