(1S,4R,4aS,7S,14bR)-7-isopropyl-4,4a-dimethyl-2,3,4,4a,5,6,7,9-octahydro-1H-7,14b-ethanobenzo[3,4]cyclohepta[1,2-b]carbazol-1-ol
| Internal ID | 09332b39-e1d3-4df0-9aa6-190984399f33 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (1R,15S,18S,19R,22S)-18,19-dimethyl-15-propan-2-yl-11-azahexacyclo[13.7.2.01,18.02,14.04,12.05,10]tetracosa-2(14),3,5,7,9,12-hexaen-22-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H35NO/c1-17(2)27-12-11-26(4)18(3)9-10-25(30)28(26,14-13-27)22-15-20-19-7-5-6-8-23(19)29-24(20)16-21(22)27/h5-8,15-18,25,29-30H,9-14H2,1-4H3/t18-,25+,26+,27+,28-/m1/s1 |
| InChI Key | VQBYLQIQOJUYEJ-AUCOGUPWSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C28H35NO |
| Molecular Weight | 401.60 g/mol |
| Exact Mass | 401.271864740 g/mol |
| Topological Polar Surface Area (TPSA) | 36.00 Ų |
| XlogP | 7.70 |
| C28H35NO |
| (1S,4R,4aS,7S,14bR)-7-isopropyl-4,4a-dimethyl-2,3,4,4a,5,6,7,9-octahydro-1H-7,14b-ethanobenzo[3,4]cyclohepta[1,2-b]carbazol-1-ol |
| 126663-32-9 |
![2D Structure of (1S,4R,4aS,7S,14bR)-7-isopropyl-4,4a-dimethyl-2,3,4,4a,5,6,7,9-octahydro-1H-7,14b-ethanobenzo[3,4]cyclohepta[1,2-b]carbazol-1-ol](https://plantaedb.com/storage/docs/compounds/2023/11/tubingensin-b.jpg "2D Structure of (1S,4R,4aS,7S,14bR)-7-isopropyl-4,4a-dimethyl-2,3,4,4a,5,6,7,9-octahydro-1H-7,14b-ethanobenzo[3,4]cyclohepta[1,2-b]carbazol-1-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.39% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.76% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 96.86% | 89.76% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.72% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.00% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.57% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.37% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.41% | 94.75% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 89.31% | 92.98% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 88.75% | 94.23% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 88.33% | 97.31% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 85.15% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.09% | 89.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.99% | 94.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.64% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.63% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.69% | 97.09% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 83.29% | 97.23% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 83.04% | 95.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.74% | 82.69% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 82.72% | 95.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.93% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.69% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.35% | 99.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.35% | 93.56% |
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 | 126970753 |
| LOTUS | LTS0129882 |
| wikiData | Q105291170 |