5,9,14-Trimethyl-4,12-dioxa-tricyclo[9.3.0.0^3,5^]tetradeca-1(11),8,13-trien-2-one
Internal ID | d10544dc-5cff-44d1-a447-e3a95c20bef4 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids |
IUPAC Name | (3S,5R,8E)-5,9,14-trimethyl-4,12-dioxatricyclo[9.3.0.03,5]tetradeca-1(11),8,13-trien-2-one |
SMILES (Canonical) | CC1=CCCC2(C(O2)C(=O)C3=C(C1)OC=C3C)C |
SMILES (Isomeric) | C/C/1=C\CC[C@@]2([C@H](O2)C(=O)C3=C(C1)OC=C3C)C |
InChI | InChI=1S/C15H18O3/c1-9-5-4-6-15(3)14(18-15)13(16)12-10(2)8-17-11(12)7-9/h5,8,14H,4,6-7H2,1-3H3/b9-5+/t14-,15-/m1/s1 |
InChI Key | CVIVANCKIBYAOP-BKILABGBSA-N |
Popularity | 6 references in papers |
Molecular Formula | C15H18O3 |
Molecular Weight | 246.30 g/mol |
Exact Mass | 246.125594432 g/mol |
Topological Polar Surface Area (TPSA) | 42.70 Ų |
XlogP | 2.50 |
5,9,14-Trimethyl-4,12-dioxa-tricyclo[9.3.0.0^3,5^]tetradeca-1(11),8,13-trien- 2-one |
![2D Structure of 5,9,14-Trimethyl-4,12-dioxa-tricyclo[9.3.0.0^3,5^]tetradeca-1(11),8,13-trien-2-one 2D Structure of 5,9,14-Trimethyl-4,12-dioxa-tricyclo[9.3.0.0^3,5^]tetradeca-1(11),8,13-trien-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/5914-trimethyl-412-dioxa-tricyclo930035tetradeca-111813-trien-2-one.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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.33% | 91.11% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.05% | 89.00% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.24% | 96.38% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.07% | 95.56% |
CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 87.34% | 86.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.57% | 97.09% |
CHEMBL2581 | P07339 | Cathepsin D | 85.28% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.82% | 94.45% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.35% | 99.23% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.41% | 96.21% |
CHEMBL3401 | O75469 | Pregnane X receptor | 83.12% | 94.73% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.26% | 100.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.21% | 86.33% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.01% | 94.80% |
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.
Chloranthus serratus |
Curcuma aeruginosa |
Curcuma zedoaria |
PubChem | 139069309 |
LOTUS | LTS0178198 |
wikiData | Q104375851 |