(1S,2R,5R,7R,8R,11R,12R,18S)-12-methyl-6-methylidene-17-oxa-14-azahexacyclo[10.6.3.15,8.01,11.02,8.014,18]docosan-7-ol
| Internal ID | 52cb9735-61e0-4f41-8b12-78a06c483952 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids > Veatchine-type diterpenoid alkaloids |
| IUPAC Name | (1S,2R,5R,7R,8R,11R,12R,18S)-12-methyl-6-methylidene-17-oxa-14-azahexacyclo[10.6.3.15,8.01,11.02,8.014,18]docosan-7-ol |
| SMILES (Canonical) | CC12CCCC3(C1CCC45C3CCC(C4)C(=C)C5O)C6N(C2)CCO6 |
| SMILES (Isomeric) | C[C@@]12CCC[C@@]3([C@@H]1CC[C@]45[C@H]3CC[C@H](C4)C(=C)[C@H]5O)[C@H]6N(C2)CCO6 |
| InChI | InChI=1S/C22H33NO2/c1-14-15-4-5-17-21(12-15,18(14)24)9-6-16-20(2)7-3-8-22(16,17)19-23(13-20)10-11-25-19/h15-19,24H,1,3-13H2,2H3/t15-,16-,17-,18-,19+,20+,21-,22+/m1/s1 |
| InChI Key | MGAZMNWJFPAAIU-NUFRDJDGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H33NO2 |
| Molecular Weight | 343.50 g/mol |
| Exact Mass | 343.251129295 g/mol |
| Topological Polar Surface Area (TPSA) | 32.70 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of (1S,2R,5R,7R,8R,11R,12R,18S)-12-methyl-6-methylidene-17-oxa-14-azahexacyclo[10.6.3.15,8.01,11.02,8.014,18]docosan-7-ol](https://plantaedb.com/storage/docs/compounds/2023/11/75080680-86bb-11ee-8cde-7d3a5fbbf3cb.jpg "2D Structure of (1S,2R,5R,7R,8R,11R,12R,18S)-12-methyl-6-methylidene-17-oxa-14-azahexacyclo[10.6.3.15,8.01,11.02,8.014,18]docosan-7-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.97% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.40% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.16% | 92.94% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.02% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.70% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.28% | 98.95% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 89.17% | 95.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.94% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.56% | 95.89% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 85.35% | 90.24% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 84.55% | 98.46% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.49% | 100.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 84.18% | 98.10% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.17% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.15% | 97.14% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.50% | 91.03% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.83% | 96.38% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 82.75% | 99.29% |
| CHEMBL4072 | P07858 | Cathepsin B | 82.54% | 93.67% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.13% | 95.38% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 80.30% | 95.58% |
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.
| Cocculus laurifolius |
| Garrya laurifolia |
| PubChem | 131879926 |
| LOTUS | LTS0105512 |
| wikiData | Q105163170 |