(1S,2S,4aR,5S,8S,8aS)-8-[(2R,5S)-5-(2-chloropropan-2-yl)-2-methyloxolan-2-yl]-2,5-dimethyl-2,5-bis(methylideneamino)-1,3,4,4a,6,7,8,8a-octahydronaphthalen-1-ol
| Internal ID | d50c1cac-c68d-4b0c-8ee9-0211f1cadfb4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Biflorane and serrulatane diterpenoids |
| IUPAC Name | (1S,2S,4aR,5S,8S,8aS)-8-[(2R,5S)-5-(2-chloropropan-2-yl)-2-methyloxolan-2-yl]-2,5-dimethyl-2,5-bis(methylideneamino)-1,3,4,4a,6,7,8,8a-octahydronaphthalen-1-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H37ClN2O2/c1-19(2,23)16-10-13-22(5,27-16)15-9-11-20(3,24-6)14-8-12-21(4,25-7)18(26)17(14)15/h14-18,26H,6-13H2,1-5H3/t14-,15+,16+,17+,18+,20+,21+,22-/m1/s1 |
| InChI Key | XWGXRXFYQSOFEO-SBOBDLCGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H37ClN2O2 |
| Molecular Weight | 397.00 g/mol |
| Exact Mass | 396.2543561 g/mol |
| Topological Polar Surface Area (TPSA) | 54.20 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of (1S,2S,4aR,5S,8S,8aS)-8-[(2R,5S)-5-(2-chloropropan-2-yl)-2-methyloxolan-2-yl]-2,5-dimethyl-2,5-bis(methylideneamino)-1,3,4,4a,6,7,8,8a-octahydronaphthalen-1-ol](https://plantaedb.com/storage/docs/compounds/2023/11/4c5f2900-854b-11ee-bbf0-b794e1aa4543.jpg "2D Structure of (1S,2S,4aR,5S,8S,8aS)-8-[(2R,5S)-5-(2-chloropropan-2-yl)-2-methyloxolan-2-yl]-2,5-dimethyl-2,5-bis(methylideneamino)-1,3,4,4a,6,7,8,8a-octahydronaphthalen-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.63% | 97.25% |
| CHEMBL240 | Q12809 | HERG | 94.44% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.35% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.61% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.36% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.52% | 96.61% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.40% | 100.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 86.74% | 95.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.77% | 95.89% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.07% | 96.43% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.78% | 97.14% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 82.95% | 83.57% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.20% | 89.05% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.59% | 86.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.38% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.27% | 97.09% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.72% | 100.00% |
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 | 162970904 |
| LOTUS | LTS0099769 |
| wikiData | Q105343392 |