8,16,17,21-Tetrahydroxy-6-(3-hydroxy-2-methylprop-1-enyl)-2,8,10,13,18,18-hexamethyl-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-19-en-12-one
| Internal ID | 63444f7a-7a0a-4246-8064-f7bc2e370b2a |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Oxosteroids > 11-oxosteroids |
| IUPAC Name | 8,16,17,21-tetrahydroxy-6-(3-hydroxy-2-methylprop-1-enyl)-2,8,10,13,18,18-hexamethyl-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-19-en-12-one |
| SMILES (Canonical) | CC(=CC1CC(C2C(O1)CC3(C2(CC(=O)C4(C3C(C=C5C4CC(C(C5(C)C)O)O)O)C)C)C)(C)O)CO |
| SMILES (Isomeric) | CC(=CC1CC(C2C(O1)CC3(C2(CC(=O)C4(C3C(C=C5C4CC(C(C5(C)C)O)O)O)C)C)C)(C)O)CO |
| InChI | InChI=1S/C30H46O7/c1-15(14-31)8-16-11-29(6,36)24-21(37-16)12-27(4)23-19(32)9-17-18(10-20(33)25(35)26(17,2)3)30(23,7)22(34)13-28(24,27)5/h8-9,16,18-21,23-25,31-33,35-36H,10-14H2,1-7H3 |
| InChI Key | ANCYFADAQNJBNP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H46O7 |
| Molecular Weight | 518.70 g/mol |
| Exact Mass | 518.32435380 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of 8,16,17,21-Tetrahydroxy-6-(3-hydroxy-2-methylprop-1-enyl)-2,8,10,13,18,18-hexamethyl-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-19-en-12-one](https://plantaedb.com/storage/docs/compounds/2023/11/aefdde00-8834-11ee-abdf-b94db71e4b95.jpg "2D Structure of 8,16,17,21-Tetrahydroxy-6-(3-hydroxy-2-methylprop-1-enyl)-2,8,10,13,18,18-hexamethyl-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-19-en-12-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 | 98.28% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.90% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.21% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.72% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.46% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.28% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.65% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.77% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.17% | 96.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.79% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.68% | 89.34% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 83.79% | 85.30% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.58% | 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.
| Cucumis melo |
| PubChem | 74932420 |
| LOTUS | LTS0218141 |
| wikiData | Q104915073 |