6-Chloro-5,16-dihydroxy-17-(2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl)-11,15-dimethylpentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2,8-dien-10-one
| Internal ID | 6a929b75-2055-4e11-88d6-2962e399b5c2 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Oxosteroids |
| IUPAC Name | 6-chloro-5,16-dihydroxy-17-(2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl)-11,15-dimethylpentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2,8-dien-10-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H37ClO6/c1-23-9-7-16-15(11-20(31)27(29)8-5-6-19(30)25(16,27)3)21(23)14-10-17(28(23,33)12-14)18-13-24(2)26(4,35-24)22(32)34-18/h5-6,14,16-18,20,22,31-33H,7-13H2,1-4H3 |
| InChI Key | CVMBQOVPLWICIZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H37ClO6 |
| Molecular Weight | 505.00 g/mol |
| Exact Mass | 504.2278666 g/mol |
| Topological Polar Surface Area (TPSA) | 99.50 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of 6-Chloro-5,16-dihydroxy-17-(2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl)-11,15-dimethylpentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2,8-dien-10-one](https://plantaedb.com/storage/docs/compounds/2023/11/712e4b10-8708-11ee-beeb-55db6bcfd800.jpg "2D Structure of 6-Chloro-5,16-dihydroxy-17-(2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl)-11,15-dimethylpentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2,8-dien-10-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 | 96.02% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.48% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.99% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.61% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.07% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.14% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.39% | 95.89% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 87.06% | 86.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.76% | 90.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.48% | 96.43% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.38% | 97.14% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.94% | 93.04% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.65% | 95.56% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 83.65% | 95.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.26% | 94.45% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.26% | 97.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.94% | 95.93% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.92% | 90.17% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.77% | 96.77% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.51% | 92.62% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.96% | 85.11% |
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.
| Jaborosa bergii |
| PubChem | 72798990 |
| LOTUS | LTS0077015 |
| wikiData | Q104970872 |