Precyclocitrinol B
| Internal ID | 22ca81bd-0baa-4411-a701-429c7fa6a5c6 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols |
| IUPAC Name | (2R,5S,9R,13S,15S)-15-hydroxy-5-methyl-6-[(2R)-2-methyl-3-[(E)-prop-1-enyl]oxiran-2-yl]tetracyclo[11.4.1.02,10.05,9]octadeca-1(17),10-dien-12-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H34O3/c1-4-5-23-25(3,28-23)22-9-8-20-19-14-21(27)16-12-15(6-7-17(26)13-16)18(19)10-11-24(20,22)2/h4-6,14,16-18,20,22-23,26H,7-13H2,1-3H3/b5-4+/t16-,17-,18+,20-,22?,23?,24-,25+/m0/s1 |
| InChI Key | QCMSHZCOLRBKOM-CVQVVLEXSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H34O3 |
| Molecular Weight | 382.50 g/mol |
| Exact Mass | 382.25079494 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 3.60 |
| (2R,5S,9R,13S,15S)-15-hydroxy-5-methyl-6-[(2R)-2-methyl-3-[(E)-prop-1-enyl]oxiran-2-yl]tetracyclo[11.4.1.02,10.05,9]octadeca-1(17),10-dien-12-one |
| (2R,5S,9R,13S,15S)-15-hydroxy-5-methyl-6-((2R)-2-methyl-3-((E)-prop-1-enyl)oxiran-2-yl)tetracyclo(11.4.1.02,10.05,9)octadeca-1(17),10-dien-12-one |
| RefChem:175795 |
| 1042417-85-5 |
| CHEBI:201673 |
| 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 | 93.82% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.99% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.50% | 96.09% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 89.93% | 85.30% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.87% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.51% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.19% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.67% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.35% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.31% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.28% | 100.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 85.40% | 85.11% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.40% | 97.14% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.87% | 96.61% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.12% | 95.93% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.74% | 96.43% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.89% | 97.05% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.61% | 86.33% |
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.
| There are no matching plants. |
| PubChem | 139584338 |
| LOTUS | LTS0066407 |
| wikiData | Q77310486 |