Cyclobranol
| Internal ID | acb192b6-2870-4c51-8846-f6175a108826 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | (1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-5,6-dimethylhept-5-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol |
| SMILES (Canonical) | CC(CCC(=C(C)C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C |
| SMILES (Isomeric) | C[C@H](CCC(=C(C)C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)O)C)C |
| InChI | InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h22-26,32H,9-19H2,1-8H3/t22-,23-,24+,25+,26+,28-,29+,30-,31+/m1/s1 |
| InChI Key | CIBNJPPYSPYHDB-UEBIAWITSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C31H52O |
| Molecular Weight | 440.70 g/mol |
| Exact Mass | 440.401816278 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 10.40 |
| 25692-13-1 |
| CHEMBL225817 |
| SCHEMBL1653290 |
| CIBNJPPYSPYHDB-UEBIAWITSA-N |
| DTXSID701318100 |
| (3beta,9beta)-24-methyl-9,19-cyclolanost-24-en-3-ol |
| (1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-5,6-dimethylhept-5-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.87% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.60% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.05% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.64% | 96.61% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.12% | 98.95% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 91.71% | 95.58% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.52% | 97.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.08% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.61% | 97.79% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.56% | 93.00% |
| CHEMBL240 | Q12809 | HERG | 86.32% | 89.76% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 86.02% | 98.10% |
| CHEMBL3837 | P07711 | Cathepsin L | 85.96% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.76% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.37% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.45% | 95.50% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.19% | 89.05% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 82.79% | 92.86% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.41% | 90.24% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 81.40% | 97.63% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.91% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.84% | 98.75% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.70% | 93.56% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.58% | 98.33% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.57% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.01% | 95.89% |
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.
| Archidendron chevalieri |
| Lathyrus sativus |
| Mangifera indica |
| Olea capensis subsp. macrocarpa |
| Olea europaea |
| Vigna angularis |
| PubChem | 13920164 |
| LOTUS | LTS0081042 |
| wikiData | Q104253492 |