(13'-Acetyloxy-1',9',14'-trihydroxy-2,2',6',6'-tetramethyl-5',11'-dioxospiro[cyclopropane-1,12'-tetracyclo[8.4.0.02,7.03,14]tetradecane]-8'-yl) acetate
Internal ID | db84f832-d932-4f3a-8726-6baed8e7c8a7 |
Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Dicarboxylic acids and derivatives |
IUPAC Name | (13'-acetyloxy-1',9',14'-trihydroxy-2,2',6',6'-tetramethyl-5',11'-dioxospiro[cyclopropane-1,12'-tetracyclo[8.4.0.02,7.03,14]tetradecane]-8'-yl) acetate |
SMILES (Canonical) | CC1CC12C(C3(C4CC(=O)C(C5C4(C3(C(C2=O)C(C5OC(=O)C)O)O)C)(C)C)O)OC(=O)C |
SMILES (Isomeric) | CC1CC12C(C3(C4CC(=O)C(C5C4(C3(C(C2=O)C(C5OC(=O)C)O)O)C)(C)C)O)OC(=O)C |
InChI | InChI=1S/C24H32O9/c1-9-8-22(9)18(29)14-15(28)16(32-10(2)25)17-20(4,5)13(27)7-12-21(17,6)24(14,31)23(12,30)19(22)33-11(3)26/h9,12,14-17,19,28,30-31H,7-8H2,1-6H3 |
InChI Key | WJJWGTAZUYGSBJ-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C24H32O9 |
Molecular Weight | 464.50 g/mol |
Exact Mass | 464.20463259 g/mol |
Topological Polar Surface Area (TPSA) | 147.00 Ų |
XlogP | -0.70 |
There are no found synonyms. |
![2D Structure of (13'-Acetyloxy-1',9',14'-trihydroxy-2,2',6',6'-tetramethyl-5',11'-dioxospiro[cyclopropane-1,12'-tetracyclo[8.4.0.02,7.03,14]tetradecane]-8'-yl) acetate 2D Structure of (13'-Acetyloxy-1',9',14'-trihydroxy-2,2',6',6'-tetramethyl-5',11'-dioxospiro[cyclopropane-1,12'-tetracyclo[8.4.0.02,7.03,14]tetradecane]-8'-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/684eb1d0-85c4-11ee-a9aa-1bd95dba173d.jpg)
Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
Proven Targets:
CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
---|---|---|---|---|---|
No proven targets yet! |
Predicted Targets (via Super-PRED):
CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.21% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 93.37% | 98.95% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.84% | 82.69% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.85% | 91.11% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.03% | 91.19% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.88% | 99.23% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.99% | 100.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.66% | 94.45% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.24% | 86.33% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.26% | 91.07% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.44% | 95.56% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.13% | 85.14% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
Plectranthus barbatus |
PubChem | 162890917 |
LOTUS | LTS0208517 |
wikiData | Q105306841 |