3,5-Dihydroxy-2,16-dimethyl-15-[1-(2-methyl-3-propan-2-ylcyclopropyl)propan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-14-one
| Internal ID | db10a53b-f2e4-49fe-805e-d929f4ed984f |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Gorgostanes and derivatives |
| IUPAC Name | 3,5-dihydroxy-2,16-dimethyl-15-[1-(2-methyl-3-propan-2-ylcyclopropyl)propan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-14-one |
| SMILES (Canonical) | CC1C(C1C(C)C)CC(C)C2C(=O)CC3C2(CCC4C3CC5C6(C4(C(CC(C6)O)O)C)O5)C |
| SMILES (Isomeric) | CC1C(C1C(C)C)CC(C)C2C(=O)CC3C2(CCC4C3CC5C6(C4(C(CC(C6)O)O)C)O5)C |
| InChI | InChI=1S/C29H46O4/c1-14(2)25-16(4)18(25)9-15(3)26-22(31)12-21-19-11-24-29(33-24)13-17(30)10-23(32)28(29,6)20(19)7-8-27(21,26)5/h14-21,23-26,30,32H,7-13H2,1-6H3 |
| InChI Key | RSZFVFRVXKODEL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H46O4 |
| Molecular Weight | 458.70 g/mol |
| Exact Mass | 458.33960994 g/mol |
| Topological Polar Surface Area (TPSA) | 70.10 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of 3,5-Dihydroxy-2,16-dimethyl-15-[1-(2-methyl-3-propan-2-ylcyclopropyl)propan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/cd8a4000-8612-11ee-ac45-21179e354b5a.jpg "2D Structure of 3,5-Dihydroxy-2,16-dimethyl-15-[1-(2-methyl-3-propan-2-ylcyclopropyl)propan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-14-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 | 98.02% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.24% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.75% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.04% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.88% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.41% | 97.79% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.19% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.97% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.10% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.44% | 86.33% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 87.08% | 98.03% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.24% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.98% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.83% | 82.69% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.78% | 85.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.57% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.37% | 97.14% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.15% | 93.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.86% | 90.71% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.75% | 89.05% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 81.74% | 95.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.44% | 90.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.83% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.29% | 94.45% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 80.19% | 95.00% |
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.
| There are no matching plants. |
| PubChem | 163030152 |
| LOTUS | LTS0196107 |
| wikiData | Q105244986 |