Tylopiol A
| Internal ID | c42e30b7-cfc4-4024-8b23-40528e5c434e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (2S,5S,14R,15R)-14-[(E,2R,5S)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyl-18-oxatetracyclo[8.7.1.02,7.011,15]octadeca-1(17),9-dien-5-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H44O2/c1-18(2)19(3)7-8-20(4)23-10-11-24-25-12-9-21-17-22(29)13-15-27(21,5)26(30-25)14-16-28(23,24)6/h7-8,12,14,18-24,29H,9-11,13,15-17H2,1-6H3/b8-7+/t19-,20-,21?,22+,23-,24?,27+,28-/m1/s1 |
| InChI Key | CINZVIXZRUAXFE-RMTFJZSJSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C28H44O2 |
| Molecular Weight | 412.60 g/mol |
| Exact Mass | 412.334130642 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 7.20 |
| (2S,5S,14R,15R)-14-((E,2R,5S)-5,6-dimethylhept-3-en-2-yl)-2,15-dimethyl-18-oxatetracyclo(8.7.1.02,7.011,15)octadeca-1(17),9-dien-5-ol |
| (2S,5S,14R,15R)-14-[(E,2R,5S)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyl-18-oxatetracyclo[8.7.1.02,7.011,15]octadeca-1(17),9-dien-5-ol |
| RefChem:192632 |
| 3-hydroxy-8,9-oxido-8,9-secoergosta-7,9(11),22-triene |
| 267418-45-1 |
| CHEBI:226130 |
| 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 | 96.85% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.16% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.31% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.13% | 93.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.54% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.43% | 96.09% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 88.27% | 88.81% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.85% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.23% | 95.56% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 82.81% | 94.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.23% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.19% | 97.14% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.95% | 90.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.97% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.43% | 95.93% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.29% | 82.69% |
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 | 139587885 |
| LOTUS | LTS0044409 |
| wikiData | Q104959997 |