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Trijuganone C

CAT: 0804-HY-N8617Size: 1 EachDry Ice: NoHazardous: No
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Description
Trijuganone C, a natural product extracted from Salvia miltiorrhiza, inhibits the proliferation of cancer cells through induction of apoptosis mediated by mitochondrial dysfunction and caspase activation[1].
CAS Number
135247-94-8
UNSPSC
12352005
Target
Caspase
Type
Natural Products
Related Pathways
Apoptosis
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/trijuganone-c.html
Solubility
10 mM in DMSO
Smiles
O=C(C1(C)CCCC2=C1C=CC(C3=C4C(C)CO3)=C2C(C4=O)=O)OC
Molecular Formula
C20H20O5
Molecular Weight
340.37
References & Citations
[1]Uto T, et al. Antiproliferative activity and apoptosis induction by trijuganone C isolated from the root of Salvia miltiorrhiza Bunge (Danshen) . Phytother Res. 2018 Apr;32 (4) :657-666.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Trijuganone C

Trijuganone C has been reported in Salvia miltiorrhiza, Salvia miltiorrhiza var. miltiorrhiza, and Salvia trijuga with data available.

CAS Number135247-94-8
PubChem CID164381
IUPAC Namemethyl 1,6-dimethyl-10,11-dioxo-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-6-carboxylate
Molecular FormulaC20H20O5
Molecular Weight340.4
XLogP2.7
Topological Polar Surface Area69.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity678
SMILES
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C(=O)OC
InChI
InChI=1S/C20H20O5/c1-10-9-25-18-12-6-7-13-11(15(12)17(22)16(21)14(10)18)5-4-8-20(13,2)19(23)24-3/h6-7,10H,4-5,8-9H2,1-3H3
InChIKey
QRDSRFIUTJVJAD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trijuganone C
CAS: 135247-94-8
CID: 164381
Formula: C20H20O5
MW: 340.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.4
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass340.13107373
Monoisotopic Mass340.13107373
Topological Polar Surface Area69.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity678
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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