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Jolkinolide E

CAT: 0804-HY-N7464-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N7464-02Size:5 mg
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Description
Jolkinolide E is a casbane diterpenoid from the roots of Euphorbia rapulum. Jolkinolide E shows weak selective activity against HepG2, MCF-7, and C6 cell lines[1].
CAS Number
54494-34-7
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/jolkinolide-e.html
Solubility
10 mM in DMSO
Smiles
C[C@]([C@]1([H])CC2)(CCCC(C)1C)[C@@](C[C@@]3([H])OC4=O)([H])C2=CC3=C4C
Molecular Formula
C20H28O2
Molecular Weight
300.44
References & Citations
[1]Liu, Xiao Xue, et al. "Phytochemical Constituents Isolated from Euphorbia rapulum." Chemistry of Natural Compounds 54 (2018) : 910-912.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Jolkinolide E

Jolkinolide E has been reported in Phlogacanthus curviflorus, Euphorbia calyptrata, and other organisms with data available.

CAS Number54494-34-7
PubChem CID5318716
IUPAC Name(4aR,10aR,11aR,11bR)-4,4,8,11b-tetramethyl-2,3,4a,5,6,10a,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-9-one
Molecular FormulaC20H28O2
Molecular Weight300.4
XLogP4.8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity595
SMILES
CC1=C2C=C3CC[C@H]4[C@]([C@@H]3C[C@H]2OC1=O)(CCCC4(C)C)C
InChI
InChI=1S/C20H28O2/c1-12-14-10-13-6-7-17-19(2,3)8-5-9-20(17,4)15(13)11-16(14)22-18(12)21/h10,15-17H,5-9,11H2,1-4H3/t15-,16-,17-,20+/m1/s1
InChIKey
ZXEVPUOHSXARBR-VIPLHTEESA-N
Chemical Structure
2D Structure
2D structure of Jolkinolide E
CAS: 54494-34-7
CID: 5318716
Formula: C20H28O2
MW: 300.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.4
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass300.208930132
Monoisotopic Mass300.208930132
Topological Polar Surface Area26.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity595
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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