Oleanane-3,11,13-triol, (3beta,11alpha)-
| Internal ID | 59d051d7-802e-4b11-b8dd-8ea46f68c2d1 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (3S,4aR,6aR,6aS,6bS,8aR,12aR,14R,14aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-2,3,4a,5,6,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picene-3,6a,14-triol |
| SMILES (Canonical) | CC1(CCC2(CCC3(C4(CCC5C(C(CCC5(C4C(CC3(C2C1)O)O)C)O)(C)C)C)C)C)C |
| SMILES (Isomeric) | C[C@@]12CC[C@]3([C@@]4(CC[C@@H]5[C@@]([C@H]4[C@@H](C[C@@]3([C@@H]1CC(CC2)(C)C)O)O)(CC[C@@H](C5(C)C)O)C)C)C |
| InChI | InChI=1S/C30H52O3/c1-24(2)13-14-26(5)15-16-29(8)28(7)12-9-20-25(3,4)22(32)10-11-27(20,6)23(28)19(31)17-30(29,33)21(26)18-24/h19-23,31-33H,9-18H2,1-8H3/t19-,20+,21-,22+,23-,26-,27+,28-,29+,30+/m1/s1 |
| InChI Key | PVMLWBWORNCCPQ-IVJFEJAPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H52O3 |
| Molecular Weight | 460.70 g/mol |
| Exact Mass | 460.39164552 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 7.30 |
| Oleanane-3,11,13-triol, (3beta,11alpha)- |
| 85643-69-2 |
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.31% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.12% | 97.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.51% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.40% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.26% | 94.45% |
| CHEMBL204 | P00734 | Thrombin | 89.86% | 96.01% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.92% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.73% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.39% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.01% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.24% | 92.94% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 85.20% | 89.05% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 84.76% | 95.38% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.48% | 91.11% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 84.24% | 92.98% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.09% | 96.43% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.90% | 91.03% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.64% | 95.93% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 82.24% | 88.81% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.67% | 95.50% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 80.29% | 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.
| Pistacia vera |
| PubChem | 162966758 |
| LOTUS | LTS0235676 |
| wikiData | Q105215519 |