3-[2-(1,2-dihydroxypropan-2-yl)-4,7-dihydroxy-1,4a,4b,6a,9,9-hexamethyl-3,4,5,6,7,8,10,12a-octahydro-2H-chrysen-1-yl]propanoic acid
| Internal ID | cc780c4b-9073-44cc-bb44-b4e7498133e8 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Hydroxysteroids > 17-hydroxysteroids |
| IUPAC Name | 3-[2-(1,2-dihydroxypropan-2-yl)-4,7-dihydroxy-1,4a,4b,6a,9,9-hexamethyl-3,4,5,6,7,8,10,12a-octahydro-2H-chrysen-1-yl]propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H48O6/c1-25(2)15-19-18-8-9-20-27(4,11-10-24(34)35)21(29(6,36)17-31)14-22(32)30(20,7)28(18,5)13-12-26(19,3)23(33)16-25/h8-9,20-23,31-33,36H,10-17H2,1-7H3,(H,34,35) |
| InChI Key | QWLDZOYHUJRXDX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H48O6 |
| Molecular Weight | 504.70 g/mol |
| Exact Mass | 504.34508925 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of 3-[2-(1,2-dihydroxypropan-2-yl)-4,7-dihydroxy-1,4a,4b,6a,9,9-hexamethyl-3,4,5,6,7,8,10,12a-octahydro-2H-chrysen-1-yl]propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/39dbb490-8625-11ee-bb8e-b9a4f025342c.jpg "2D Structure of 3-[2-(1,2-dihydroxypropan-2-yl)-4,7-dihydroxy-1,4a,4b,6a,9,9-hexamethyl-3,4,5,6,7,8,10,12a-octahydro-2H-chrysen-1-yl]propanoic acid")
| 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 | 98.46% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.06% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.92% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.81% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.83% | 83.82% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.26% | 96.77% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.96% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.46% | 97.09% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 85.31% | 94.62% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.08% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.52% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.98% | 95.56% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 83.88% | 94.23% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.99% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.45% | 82.69% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.85% | 89.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.43% | 96.90% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.34% | 91.07% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.22% | 90.24% |
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 | 162993518 |
| LOTUS | LTS0179386 |
| wikiData | Q105229252 |