6-hydroxy-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-2,3,4,5,6,7,7a,9,10,11,13,13b-dodecahydro-1H-cyclopenta[a]chrysen-12-one
| Internal ID | ef8751c1-99f3-4d1e-9d73-fd126796583c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 6-hydroxy-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-2,3,4,5,6,7,7a,9,10,11,13,13b-dodecahydro-1H-cyclopenta[a]chrysen-12-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H48O2/c1-18(2)19-10-11-22-27(19,5)14-15-29(7)25-20(31)16-23-26(3,4)12-9-13-28(23,6)24(25)21(32)17-30(22,29)8/h18-20,22-23,31H,9-17H2,1-8H3 |
| InChI Key | DQIBYTRWFOXZQY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H48O2 |
| Molecular Weight | 440.70 g/mol |
| Exact Mass | 440.365430770 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 8.00 |
| There are no found synonyms. |
![2D Structure of 6-hydroxy-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-2,3,4,5,6,7,7a,9,10,11,13,13b-dodecahydro-1H-cyclopenta[a]chrysen-12-one](https://plantaedb.com/storage/docs/compounds/2023/11/0a8fd820-8555-11ee-a4cd-bd48a4cab0d2.jpg "2D Structure of 6-hydroxy-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-2,3,4,5,6,7,7a,9,10,11,13,13b-dodecahydro-1H-cyclopenta[a]chrysen-12-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 |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 98.69% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.45% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.60% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.79% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.34% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.15% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.02% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.93% | 100.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.92% | 96.77% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.20% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.78% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.92% | 94.75% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 87.55% | 93.04% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.03% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.93% | 90.71% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 83.52% | 85.31% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.00% | 91.19% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 81.00% | 95.69% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.97% | 90.17% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.51% | 95.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.04% | 93.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.00% | 91.03% |
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.
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| There are no matching plants. |
| PubChem | 75104601 |
| LOTUS | LTS0072049 |
| wikiData | Q104986961 |