Methyl 10,23-dihydroxy-21-(1-hydroxyethyl)-2,5,8,14-tetramethyl-18-oxo-19-oxapentacyclo[12.9.0.02,11.05,10.015,21]tricosa-8,16-diene-11-carboxylate
| Internal ID | 2a0b17f1-595a-4bc5-b68c-60edf77219ca |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Hydroxysteroids |
| IUPAC Name | methyl 10,23-dihydroxy-21-(1-hydroxyethyl)-2,5,8,14-tetramethyl-18-oxo-19-oxapentacyclo[12.9.0.02,11.05,10.015,21]tricosa-8,16-diene-11-carboxylate |
| SMILES (Canonical) | CC1=CC2(C(CC1)(CCC3(C2(CCC4(C3C(CC5(C4C=CC(=O)OC5)C(C)O)O)C)C(=O)OC)C)C)O |
| SMILES (Isomeric) | CC1=CC2(C(CC1)(CCC3(C2(CCC4(C3C(CC5(C4C=CC(=O)OC5)C(C)O)O)C)C(=O)OC)C)C)O |
| InChI | InChI=1S/C30H44O7/c1-18-9-10-25(3)11-13-27(5)23-20(32)16-28(19(2)31)17-37-22(33)8-7-21(28)26(23,4)12-14-29(27,24(34)36-6)30(25,35)15-18/h7-8,15,19-21,23,31-32,35H,9-14,16-17H2,1-6H3 |
| InChI Key | KBMOWKVFQHQUFB-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H44O7 |
| Molecular Weight | 516.70 g/mol |
| Exact Mass | 516.30870374 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of Methyl 10,23-dihydroxy-21-(1-hydroxyethyl)-2,5,8,14-tetramethyl-18-oxo-19-oxapentacyclo[12.9.0.02,11.05,10.015,21]tricosa-8,16-diene-11-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/66a948f0-85d1-11ee-8082-e967603f5c6d.jpg "2D Structure of Methyl 10,23-dihydroxy-21-(1-hydroxyethyl)-2,5,8,14-tetramethyl-18-oxo-19-oxapentacyclo[12.9.0.02,11.05,10.015,21]tricosa-8,16-diene-11-carboxylate")
| 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 | 98.58% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.87% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.60% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.08% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.11% | 95.56% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 94.69% | 95.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.77% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.54% | 96.77% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.42% | 96.47% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 90.57% | 91.07% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.37% | 97.25% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 88.09% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.86% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.51% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.95% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.62% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.79% | 95.89% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.38% | 95.50% |
| CHEMBL5028 | O14672 | ADAM10 | 83.49% | 97.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.36% | 94.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.98% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.55% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.42% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.85% | 96.38% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.83% | 91.19% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.60% | 82.69% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 80.14% | 97.56% |
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.
| Galphimia glauca |
| PubChem | 72808370 |
| LOTUS | LTS0089832 |
| wikiData | Q104170116 |