14,19-Dihydroxy-7-methoxy-4,8,8,12,18,18,22-heptamethylpentacyclo[12.9.0.03,12.04,9.017,22]tricosan-23-one
| Internal ID | 1a3de2ac-8a8d-47ae-9a3b-ad5101a79ac0 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
| IUPAC Name | 14,19-dihydroxy-7-methoxy-4,8,8,12,18,18,22-heptamethylpentacyclo[12.9.0.03,12.04,9.017,22]tricosan-23-one |
| SMILES (Canonical) | CC1(C2CCC3(CC4(CCC5C(C(CCC5(C4CC3C(=O)C2(CCC1O)C)C)OC)(C)C)C)O)C |
| SMILES (Isomeric) | CC1(C2CCC3(CC4(CCC5C(C(CCC5(C4CC3C(=O)C2(CCC1O)C)C)OC)(C)C)C)O)C |
| InChI | InChI=1S/C31H52O4/c1-26(2)20-10-16-31(34)18-28(5)13-9-21-27(3,4)24(35-8)12-15-29(21,6)22(28)17-19(31)25(33)30(20,7)14-11-23(26)32/h19-24,32,34H,9-18H2,1-8H3 |
| InChI Key | MYTJMLDHZCUMMH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H52O4 |
| Molecular Weight | 488.70 g/mol |
| Exact Mass | 488.38656014 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
![2D Structure of 14,19-Dihydroxy-7-methoxy-4,8,8,12,18,18,22-heptamethylpentacyclo[12.9.0.03,12.04,9.017,22]tricosan-23-one](https://plantaedb.com/storage/docs/compounds/2023/11/f937c4c0-82f1-11ee-b72c-ed93d1cd6f3a.jpg "2D Structure of 14,19-Dihydroxy-7-methoxy-4,8,8,12,18,18,22-heptamethylpentacyclo[12.9.0.03,12.04,9.017,22]tricosan-23-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.67% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.83% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.53% | 97.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.98% | 83.82% |
| CHEMBL204 | P00734 | Thrombin | 88.45% | 96.01% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.78% | 92.94% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.47% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.42% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.63% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.55% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.46% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.77% | 91.11% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.54% | 97.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.85% | 94.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.46% | 96.43% |
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.
| Picea jezoensis subsp. hondoensis |
| PubChem | 85252680 |
| LOTUS | LTS0231797 |
| wikiData | Q105175161 |