3a,5a,7a,11b,13a-Pentamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,10,11,11a,12,13,13b-tetradecahydrocyclopenta[a]chrysene-8-carboxylic acid
| Internal ID | 99af0d31-bbc5-4033-b0c1-3299c7fa2abd |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
| IUPAC Name | 3a,5a,7a,11b,13a-pentamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,10,11,11a,12,13,13b-tetradecahydrocyclopenta[a]chrysene-8-carboxylic acid |
| SMILES (Canonical) | CC(C)C1CCC2C1(CCC3(C2(CCC4(C3CCC5(C4CCC=C5C(=O)O)C)C)C)C)C |
| SMILES (Isomeric) | CC(C)C1CCC2C1(CCC3(C2(CCC4(C3CCC5(C4CCC=C5C(=O)O)C)C)C)C)C |
| InChI | InChI=1S/C30H48O2/c1-19(2)20-11-12-23-27(20,4)15-17-30(7)24-13-14-26(3)21(25(31)32)9-8-10-22(26)28(24,5)16-18-29(23,30)6/h9,19-20,22-24H,8,10-18H2,1-7H3,(H,31,32) |
| InChI Key | BCOYSKCANMKRJB-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 | 9.90 |
| There are no found synonyms. |
![2D Structure of 3a,5a,7a,11b,13a-Pentamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,10,11,11a,12,13,13b-tetradecahydrocyclopenta[a]chrysene-8-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/07688f20-85d0-11ee-9ca7-fb4f27d3966e.jpg "2D Structure of 3a,5a,7a,11b,13a-Pentamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,10,11,11a,12,13,13b-tetradecahydrocyclopenta[a]chrysene-8-carboxylic 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.43% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.73% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.53% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.61% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.37% | 95.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.38% | 93.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.66% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.46% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.17% | 97.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.91% | 96.38% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.19% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.74% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.48% | 91.19% |
| CHEMBL5028 | O14672 | ADAM10 | 82.30% | 97.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.90% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.37% | 95.89% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 80.67% | 94.08% |
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.
| Adiantum pedatum |
| PubChem | 73082660 |
| LOTUS | LTS0083757 |
| wikiData | Q104923554 |