Basic information
- CAS
29444-03-9- Standard SMILES
CC1=C2CC(C)(C)/C=C/C(=O)/C(C)=C\C3=C[C@H](C)C[C@]3(O2)C1=O- InChIKey
MJNNONLDVCCGCA-ZQHAHMAHSA-N- Molecular formula
- C20H24O3
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.17254462
Overview
Jatrophone is a member of oxolanes.
Names & identifiers
- Preferred name
- Jatrophone
- IUPAC
- (1R,3R,6Z,9E)-3,7,11,11,14-pentamethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraene-8,15-dione
- English name
- Jatrophone
- Molecular formula
- C20H24O3
- Molecular weight
- 312.4
Names & synonyms
JatrophoneRefChem:150407(1R,3R,6Z,9E)-3,7,11,11,14-pentamethyl-16-oxatricyclo(11.2.1.01,5)hexadeca-4,6,9,13-tetraene-8,15-dione2,3,7,8-tetrahydro-2,5,8,8,12-pentamethyl-3 alpha, 6-epoxy-3 alphaH-cyclopentacyclododecin-4,11-dione(1R,3R,6Z,9Z)-3,7,11,11,14-pentamethyl-16-oxatricyclo(11.2.1.01,5)hexadeca-4,6,9,13-tetraene-8,15-dioneJatrophon29444-03-9Jatropha principle(+)-JatrophoneNSC-1350373a,6-Epoxy-3aH-cyclopentacyclododecene-4,11-dione, 2,3,7,8-tetrahydro-2,5,8,8,12-pentamethyl-, (2R-(2R*,3aR*,9E,12Z))-3a,6-Epoxy-3aH-cyclopentacyclododecene-4,11-dione, 2,3,7,8-tetrahydro-2,5,8,8,12-pentamethyl-, [2R-(2R*,3aR*,9E,12Z)]-
Show more names
NSC1350373a,6-Epoxy-3aH-cyclopentacyclododecene-4,11-dione, 2,3,7,8-tetrahydro-2,5,8,8,12-pentamethyl-, (2R,3aR,9E,12Z)-
Jatrophone, (+)-R6ZN436TPECHEBI:6086CHEMBL2402276NSC 135037C09120Q27107043(2R,3aR,9E,12Z)-2,3,7,8-Tetrahydro-2,5,8,8,12-pentamethyl-3a,6-epoxy-3aH-cyclopentacyclododecene-4,11-dione
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 715
Chemistry & industry
Applications
UsesJatrophone is a diterpenoid with anticancer activity isolated from Jatropha isabelli. Jatrophone interferes with the Wnt/β-catenin pathway to inhibit the proliferation and epithelial-mesenchymal transition (EMT) of triple-negative breast cancer cells.
Upstream & downstream products
Upstream raw materials
Suppliers2 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionA diterpenoid growth inhibitor isolated from an alcohol extract of the plant Jatropha gossypiifolia. Its unique structure includes a 12membered ring. It is readily attacked by nucleophiles. Useful in study of tumor growth inhibition and other biochemical research.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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