Ursa-9(11),12-dien-3-ol
| Internal ID | fa7e1eef-886e-4eb0-acb8-8990fa97e160 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a-dodecahydro-1H-picen-3-ol |
| SMILES (Canonical) | CC1CCC2(CCC3(C(=CC=C4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C |
| SMILES (Isomeric) | CC1CCC2(CCC3(C(=CC=C4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C |
| InChI | InChI=1S/C30H48O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9-10,19-20,22,24-25,31H,11-18H2,1-8H3 |
| InChI Key | CPSHPTCUXNWYJT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H48O |
| Molecular Weight | 424.70 g/mol |
| Exact Mass | 424.370516150 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 8.70 |
| CPSHPTCUXNWYJT-UHFFFAOYSA-N |
| 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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.85% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.25% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.23% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.57% | 92.94% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.03% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.95% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.72% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.89% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.82% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.27% | 93.99% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.89% | 95.93% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.14% | 96.95% |
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.
| Boswellia sacra |
| Euphorbia maculata |
| Launaea arborescens |
| PubChem | 634620 |
| LOTUS | LTS0213464 |
| wikiData | Q104967723 |