8,10,16,22-tetrahydroxy-9-methoxy-7,14,18-trimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-15-en-17-one
| Internal ID | 8fac6537-ca7d-4676-bb85-cdb890c495ec |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones |
| IUPAC Name | 8,10,16,22-tetrahydroxy-9-methoxy-7,14,18-trimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-15-en-17-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H40O11/c1-13-22(32)25(37-4)30(36)26(39-13)40-18-10-15-5-6-17-21(27(15,2)11-19(18)41-30)23(33)24(34)28(3)16(7-8-29(17,28)35)14-9-20(31)38-12-14/h9,13,15-19,22,25-26,32-33,35-36H,5-8,10-12H2,1-4H3 |
| InChI Key | YIVWRWXYUIDQRB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H40O11 |
| Molecular Weight | 576.60 g/mol |
| Exact Mass | 576.25706209 g/mol |
| Topological Polar Surface Area (TPSA) | 161.00 Ų |
| XlogP | -0.10 |
| There are no found synonyms. |
![2D Structure of 8,10,16,22-tetrahydroxy-9-methoxy-7,14,18-trimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-15-en-17-one](https://plantaedb.com/storage/docs/compounds/2023/11/f74b65d0-8636-11ee-a488-b944675740a2.jpg "2D Structure of 8,10,16,22-tetrahydroxy-9-methoxy-7,14,18-trimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-15-en-17-one")
| 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 | 98.06% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.65% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.08% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.51% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 94.31% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.07% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.32% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.52% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.52% | 97.25% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 91.32% | 97.14% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.06% | 85.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.85% | 96.77% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.53% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.17% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.57% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.36% | 94.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.95% | 96.43% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 85.27% | 94.42% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.75% | 92.94% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.60% | 82.69% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.45% | 97.28% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.43% | 97.33% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.37% | 91.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.09% | 89.00% |
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.
| Anodendron affine |
| PubChem | 73816139 |
| LOTUS | LTS0077518 |
| wikiData | Q105349063 |