3a,5a,5b,8,8,11a-hexamethyl-3-propan-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysene-9,13b-diol
| Internal ID | 140843a7-82b0-4a2e-9e56-4aae4728872c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Hopanoids |
| IUPAC Name | 3a,5a,5b,8,8,11a-hexamethyl-3-propan-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysene-9,13b-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H52O2/c1-19(2)20-11-16-30(32)23-10-9-22-26(5)14-13-24(31)25(3,4)21(26)12-15-28(22,7)29(23,8)18-17-27(20,30)6/h19-24,31-32H,9-18H2,1-8H3 |
| InChI Key | DNXPKFMWGNHGAW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H52O2 |
| Molecular Weight | 444.70 g/mol |
| Exact Mass | 444.396730897 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 8.10 |
| There are no found synonyms. |
![2D Structure of 3a,5a,5b,8,8,11a-hexamethyl-3-propan-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysene-9,13b-diol](https://plantaedb.com/storage/docs/compounds/2023/11/15421e80-85f1-11ee-931b-5f0650e06eab.jpg "2D Structure of 3a,5a,5b,8,8,11a-hexamethyl-3-propan-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysene-9,13b-diol")
| 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 | 94.95% | 96.38% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 93.62% | 82.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.98% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.34% | 97.25% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 90.15% | 85.31% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.99% | 95.93% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.64% | 96.61% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.59% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.43% | 94.45% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.00% | 92.86% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.87% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.80% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.01% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.91% | 97.09% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.98% | 91.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.85% | 100.00% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 84.68% | 92.97% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 84.19% | 95.58% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.97% | 90.08% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 82.37% | 87.16% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 81.81% | 92.98% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 81.58% | 89.05% |
| CHEMBL268 | P43235 | Cathepsin K | 81.08% | 96.85% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 80.77% | 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 | 162877875 |
| LOTUS | LTS0073377 |
| wikiData | Q104985841 |