(1S,3R,8R,11S,12S,15R,16R)-15-[(1R,2R,3R)-2-hydroxy-3-(2-hydroxypropan-2-yl)cyclopentyl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
| Internal ID | 60a5edd0-1167-439c-b813-02e05708cae1 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | (1S,3R,8R,11S,12S,15R,16R)-15-[(1R,2R,3R)-2-hydroxy-3-(2-hydroxypropan-2-yl)cyclopentyl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H48O3/c1-25(2)21-9-10-22-28(6)13-11-19(18-7-8-20(24(18)32)26(3,4)33)27(28,5)15-16-30(22)17-29(21,30)14-12-23(25)31/h18-22,24,32-33H,7-17H2,1-6H3/t18-,19-,20-,21+,22+,24-,27-,28+,29-,30+/m1/s1 |
| InChI Key | HNUFVVWLMLABDC-AYKLVQHISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H48O3 |
| Molecular Weight | 456.70 g/mol |
| Exact Mass | 456.36034539 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 7.00 |
| There are no found synonyms. |
![2D Structure of (1S,3R,8R,11S,12S,15R,16R)-15-[(1R,2R,3R)-2-hydroxy-3-(2-hydroxypropan-2-yl)cyclopentyl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/c14d5da0-854a-11ee-ac0e-ddbb53a1701c.jpg "2D Structure of (1S,3R,8R,11S,12S,15R,16R)-15-[(1R,2R,3R)-2-hydroxy-3-(2-hydroxypropan-2-yl)cyclopentyl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.61% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.72% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.19% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.75% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.58% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.49% | 89.34% |
| CHEMBL204 | P00734 | Thrombin | 86.72% | 96.01% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.06% | 96.09% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.83% | 90.93% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.66% | 93.04% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 82.62% | 94.78% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.18% | 97.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.09% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.87% | 82.69% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 81.72% | 83.57% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.83% | 94.75% |
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.
| Monocyclanthus vignei |
| PubChem | 101637548 |
| LOTUS | LTS0126761 |
| wikiData | Q105031069 |