(4bS,6aS,8R,10aR)-2,10a-dihydroxy-1,4b,6a,8-tetramethyl-8-(4-methylpent-3-enyl)-6,7,9,10-tetrahydro-5H-chrysen-3-one
| Internal ID | a5e5d9f5-0ba0-4846-a27e-ef3711f391d5 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
| IUPAC Name | (4bS,6aS,8R,10aR)-2,10a-dihydroxy-1,4b,6a,8-tetramethyl-8-(4-methylpent-3-enyl)-6,7,9,10-tetrahydro-5H-chrysen-3-one |
| SMILES (Canonical) | CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC(C4)(C)CCC=C(C)C)O)C)C)O |
| SMILES (Isomeric) | CC1=C(C(=O)C=C2C1=CC=C3[C@]2(CC[C@@]4([C@@]3(CC[C@@](C4)(C)CCC=C(C)C)O)C)C)O |
| InChI | InChI=1S/C28H38O3/c1-18(2)8-7-11-25(4)12-15-28(31)23-10-9-20-19(3)24(30)22(29)16-21(20)27(23,6)14-13-26(28,5)17-25/h8-10,16,30-31H,7,11-15,17H2,1-6H3/t25-,26+,27+,28+/m1/s1 |
| InChI Key | GWCDLSJGYSMPGI-UNFRKHOWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H38O3 |
| Molecular Weight | 422.60 g/mol |
| Exact Mass | 422.28209507 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.07% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.70% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.70% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.51% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.90% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.24% | 94.75% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 88.79% | 95.52% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.48% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.85% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.79% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.88% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.40% | 90.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.41% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.07% | 100.00% |
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 | 162990031 |
| LOTUS | LTS0145511 |
| wikiData | Q105022175 |