(1',4',5,7-tetraacetyloxy-7'-methoxy-2',3,5'a,6,6',9-hexamethyl-8',10-dioxospiro[11-oxatricyclo[7.2.1.01,6]dodec-3-ene-2,3'-2,3a,4,5,9,9a-hexahydro-1H-cyclopenta[a]naphthalene]-9'b-yl)methyl acetate
| Internal ID | 35b73194-d5bd-45eb-b1a9-8865a5252ad8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | (1',4',5,7-tetraacetyloxy-7'-methoxy-2',3,5'a,6,6',9-hexamethyl-8',10-dioxospiro[11-oxatricyclo[7.2.1.01,6]dodec-3-ene-2,3'-2,3a,4,5,9,9a-hexahydro-1H-cyclopenta[a]naphthalene]-9'b-yl)methyl acetate |
| SMILES (Canonical) | CC1C(C2(C3CC(=O)C(=C(C3(CC(C2C14C(=CC(C5(C46CC(CC5OC(=O)C)(C(=O)O6)C)C)OC(=O)C)C)OC(=O)C)C)C)OC)COC(=O)C)OC(=O)C |
| SMILES (Isomeric) | CC1C(C2(C3CC(=O)C(=C(C3(CC(C2C14C(=CC(C5(C46CC(CC5OC(=O)C)(C(=O)O6)C)C)OC(=O)C)C)OC(=O)C)C)C)OC)COC(=O)C)OC(=O)C |
| InChI | InChI=1S/C41H54O14/c1-19-13-30(52-24(6)44)38(11)31(53-25(7)45)16-36(9)17-40(38,55-35(36)48)41(19)21(3)34(54-26(8)46)39(18-50-22(4)42)29-14-27(47)32(49-12)20(2)37(29,10)15-28(33(39)41)51-23(5)43/h13,21,28-31,33-34H,14-18H2,1-12H3 |
| InChI Key | GEUWXNQZCXNOOI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C41H54O14 |
| Molecular Weight | 770.90 g/mol |
| Exact Mass | 770.35135639 g/mol |
| Topological Polar Surface Area (TPSA) | 184.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of (1',4',5,7-tetraacetyloxy-7'-methoxy-2',3,5'a,6,6',9-hexamethyl-8',10-dioxospiro[11-oxatricyclo[7.2.1.01,6]dodec-3-ene-2,3'-2,3a,4,5,9,9a-hexahydro-1H-cyclopenta[a]naphthalene]-9'b-yl)methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/1f6a6be0-85dc-11ee-83bb-8dc9b7663124.jpg "2D Structure of (1',4',5,7-tetraacetyloxy-7'-methoxy-2',3,5'a,6,6',9-hexamethyl-8',10-dioxospiro[11-oxatricyclo[7.2.1.01,6]dodec-3-ene-2,3'-2,3a,4,5,9,9a-hexahydro-1H-cyclopenta[a]naphthalene]-9'b-yl)methyl acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.97% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.33% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.58% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.62% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.59% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 90.85% | 91.07% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.40% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.84% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.50% | 97.14% |
| CHEMBL5028 | O14672 | ADAM10 | 85.19% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.11% | 95.89% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 85.03% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.71% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.11% | 99.23% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.47% | 94.80% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.24% | 95.50% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.06% | 92.94% |
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.
| Ruptiliocarpon caracolito |
| PubChem | 75239097 |
| LOTUS | LTS0053225 |
| wikiData | Q105007343 |