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N-Octyl caffeate

CAT: 0013-GTR19212564-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212564-02Size:50 mg
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Description
N-Octyl caffeate is a bioactive small molecule that exhibits anti-cancer activity by inducing apoptosis in vitro, specifically in the highly metastatic murine colon 26-L5 carcinoma cell line. This makes it a candidate compound for research into metastasis, particularly liver metastasis, and for studying apoptotic pathways in cancer models.
CAS Number
478392-41-5
Field of Research
Cell Biology
Smiles
C (=C/C (OCCCCCCCC) =O) \C1=CC (O) =C (O) C=C1
Molecular Formula
C17H24O4
Molecular Weight
292.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Octyl caffeate

an antioxidant; structure in first source

CAS Number478392-41-5
PubChem CID10108392
IUPAC Nameoctyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular FormulaC17H24O4
Molecular Weight292.4
XLogP5.7
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count21
Formal Charge0
Complexity314
SMILES
CCCCCCCCOC(=O)/C=C/C1=CC(=C(C=C1)O)O
InChI
InChI=1S/C17H24O4/c1-2-3-4-5-6-7-12-21-17(20)11-9-14-8-10-15(18)16(19)13-14/h8-11,13,18-19H,2-7,12H2,1H3/b11-9+
InChIKey
RXIINIWPQBLXAP-PKNBQFBNSA-N
Chemical Structure
2D Structure
2D structure of Octyl caffeate
CAS: 478392-41-5
CID: 10108392
Formula: C17H24O4
MW: 292.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight292.4
XLogP35.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass292.16745924
Monoisotopic Mass292.16745924
Topological Polar Surface Area66.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity314
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS5815036n-Octyl caffeate
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