(1R,2R,5S,7S,10R,11S,14R,15R,18S,20R)-1,2,10,15,19,19-hexamethyl-7-propan-2-yl-6-oxahexacyclo[12.8.0.02,11.05,7.05,10.015,20]docosan-18-ol
| Internal ID | ff73e00c-9cb3-4803-9b18-9d4ae594146b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Hopanoids |
| IUPAC Name | (1R,2R,5S,7S,10R,11S,14R,15R,18S,20R)-1,2,10,15,19,19-hexamethyl-7-propan-2-yl-6-oxahexacyclo[12.8.0.02,11.05,7.05,10.015,20]docosan-18-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H50O2/c1-19(2)29-17-15-28(8)22-10-9-21-25(5)13-12-23(31)24(3,4)20(25)11-14-26(21,6)27(22,7)16-18-30(28,29)32-29/h19-23,31H,9-18H2,1-8H3/t20-,21+,22-,23-,25-,26+,27+,28+,29-,30-/m0/s1 |
| InChI Key | XIFSFPHSSNTVKZ-CLEUFDEXSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C30H50O2 |
| Molecular Weight | 442.70 g/mol |
| Exact Mass | 442.381080833 g/mol |
| Topological Polar Surface Area (TPSA) | 32.80 Ų |
| XlogP | 8.10 |
| There are no found synonyms. |
![2D Structure of (1R,2R,5S,7S,10R,11S,14R,15R,18S,20R)-1,2,10,15,19,19-hexamethyl-7-propan-2-yl-6-oxahexacyclo[12.8.0.02,11.05,7.05,10.015,20]docosan-18-ol](https://plantaedb.com/storage/docs/compounds/2023/11/87e42db0-876e-11ee-8dfb-ebd5e19b7244.jpg "2D Structure of (1R,2R,5S,7S,10R,11S,14R,15R,18S,20R)-1,2,10,15,19,19-hexamethyl-7-propan-2-yl-6-oxahexacyclo[12.8.0.02,11.05,7.05,10.015,20]docosan-18-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.88% | 96.09% |
| CHEMBL2431 | P31751 | Serine/threonine-protein kinase AKT2 | 87.59% | 98.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.57% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.34% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.31% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.08% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.37% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.71% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.62% | 96.38% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.74% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.47% | 94.45% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 83.38% | 98.10% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 83.21% | 95.58% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.18% | 89.05% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.83% | 96.61% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.30% | 97.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.59% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.37% | 94.75% |
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.
| Centaurea ptosimopappoides |
| Euphorbia maculata |
| PubChem | 14633157 |
| LOTUS | LTS0094704 |
| wikiData | Q105328451 |