(2R,5R,6S,9R,13S,15S)-6-[(E,4S,5S)-4,5-dihydroxyhex-2-en-2-yl]-15-hydroxy-5-methyltetracyclo[11.4.1.02,10.05,9]octadeca-1(17),10-dien-12-one
| Internal ID | 9139768d-79a8-4396-9613-ecb0cc2332f0 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols |
| IUPAC Name | (2R,5R,6S,9R,13S,15S)-6-[(E,4S,5S)-4,5-dihydroxyhex-2-en-2-yl]-15-hydroxy-5-methyltetracyclo[11.4.1.02,10.05,9]octadeca-1(17),10-dien-12-one |
| SMILES (Canonical) | CC(C(C=C(C)C1CCC2C1(CCC3C2=CC(=O)C4CC(CC=C3C4)O)C)O)O |
| SMILES (Isomeric) | C[C@@H]([C@H](/C=C(\C)/[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC(=O)[C@@H]4C[C@H](CC=C3C4)O)C)O)O |
| InChI | InChI=1S/C25H36O4/c1-14(10-23(28)15(2)26)21-6-7-22-20-13-24(29)17-11-16(4-5-18(27)12-17)19(20)8-9-25(21,22)3/h4,10,13,15,17-19,21-23,26-28H,5-9,11-12H2,1-3H3/b14-10+/t15-,17-,18-,19+,21-,22-,23-,25+/m0/s1 |
| InChI Key | HDGOYEAHQQCXLC-MOVOZKDJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H36O4 |
| Molecular Weight | 400.50 g/mol |
| Exact Mass | 400.26135963 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of (2R,5R,6S,9R,13S,15S)-6-[(E,4S,5S)-4,5-dihydroxyhex-2-en-2-yl]-15-hydroxy-5-methyltetracyclo[11.4.1.02,10.05,9]octadeca-1(17),10-dien-12-one](https://plantaedb.com/storage/docs/compounds/2023/11/04d1c2e0-8786-11ee-af6b-699ef9ab42a1.jpg "2D Structure of (2R,5R,6S,9R,13S,15S)-6-[(E,4S,5S)-4,5-dihydroxyhex-2-en-2-yl]-15-hydroxy-5-methyltetracyclo[11.4.1.02,10.05,9]octadeca-1(17),10-dien-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.34% | 98.95% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 97.06% | 85.31% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.92% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.60% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.81% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.59% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.95% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.85% | 97.25% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.42% | 95.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.33% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.50% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.39% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.38% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.62% | 95.89% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 86.31% | 92.86% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.31% | 93.56% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.64% | 85.11% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.65% | 97.05% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.91% | 93.40% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.00% | 93.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.63% | 85.14% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.43% | 90.08% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.98% | 91.19% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.92% | 100.00% |
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.
| Calocedrus formosana |
| Chamaecyparis obtusa |
| Juniperus chinensis |
| PubChem | 163186021 |
| LOTUS | LTS0220107 |
| wikiData | Q105180320 |