Coleon U
| Internal ID | f95b348d-b5c2-46dc-8556-c4f9efec6079 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (4aR)-5,6,8,10-tetrahydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4-dihydro-2H-phenanthren-9-one |
| SMILES (Canonical) | CC(C)C1=C(C2=C(C(=C1O)O)C3(CCCC(C3=C(C2=O)O)(C)C)C)O |
| SMILES (Isomeric) | CC(C)C1=C(C2=C(C(=C1O)O)[C@]3(CCCC(C3=C(C2=O)O)(C)C)C)O |
| InChI | InChI=1S/C20H26O5/c1-9(2)10-13(21)11-12(16(24)14(10)22)20(5)8-6-7-19(3,4)18(20)17(25)15(11)23/h9,21-22,24-25H,6-8H2,1-5H3/t20-/m1/s1 |
| InChI Key | XPYRMWZAUHBOPE-HXUWFJFHSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C20H26O5 |
| Molecular Weight | 346.40 g/mol |
| Exact Mass | 346.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 98.00 Ų |
| XlogP | 5.10 |
| 65714-69-4 |
| NSC337582 |
| (4aR)-5,6,8,10-tetrahydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4-dihydro-2H-phenanthren-9-one |
| COLEON U-ERU 702 |
| SCHEMBL4778751 |
| CHEMBL1986340 |
| DTXSID50318849 |
| AKOS004906901 |
| NSC-337582 |
| NCI60_002961 |
| 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 | 97.76% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 97.01% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.42% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.40% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.04% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.50% | 96.77% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.37% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.22% | 90.71% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.98% | 96.38% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 87.01% | 95.34% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.80% | 99.15% |
| CHEMBL4072 | P07858 | Cathepsin B | 85.20% | 93.67% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.37% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.79% | 90.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.52% | 93.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.41% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.35% | 89.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.28% | 99.18% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 80.24% | 95.71% |
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.
| Plectranthus grandidentatus |
| Plectranthus hereroensis |
| Plectranthus punctatus subsp. edulis |
| Plectranthus sanguineus |
| Plectranthus xanthanthus |
| PubChem | 333723 |
| LOTUS | LTS0093733 |
| wikiData | Q82074966 |