N-[(1S,4S,4aS,5R,6R,8aS)-4-[(2R,5R)-5-chloro-2,6,6-trimethyloxan-2-yl]-6-hydroxy-1,6-dimethyl-5-(methylideneamino)-2,3,4,4a,5,7,8,8a-octahydronaphthalen-1-yl]formamide
| Internal ID | 1bf421c5-6a31-4e4c-897d-b16fb089b557 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Biflorane and serrulatane diterpenoids |
| IUPAC Name | N-[(1S,4S,4aS,5R,6R,8aS)-4-[(2R,5R)-5-chloro-2,6,6-trimethyloxan-2-yl]-6-hydroxy-1,6-dimethyl-5-(methylideneamino)-2,3,4,4a,5,7,8,8a-octahydronaphthalen-1-yl]formamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H37ClN2O3/c1-19(2)16(23)9-12-22(5,28-19)15-7-10-20(3,25-13-26)14-8-11-21(4,27)18(24-6)17(14)15/h13-18,27H,6-12H2,1-5H3,(H,25,26)/t14-,15-,16+,17-,18+,20-,21+,22+/m0/s1 |
| InChI Key | DXNRKQZSDLZIAZ-JVKCDKLRSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H37ClN2O3 |
| Molecular Weight | 413.00 g/mol |
| Exact Mass | 412.2492707 g/mol |
| Topological Polar Surface Area (TPSA) | 70.90 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of N-[(1S,4S,4aS,5R,6R,8aS)-4-[(2R,5R)-5-chloro-2,6,6-trimethyloxan-2-yl]-6-hydroxy-1,6-dimethyl-5-(methylideneamino)-2,3,4,4a,5,7,8,8a-octahydronaphthalen-1-yl]formamide](https://plantaedb.com/storage/docs/compounds/2023/11/90303380-8599-11ee-9fd1-6165e2a9d210.jpg "2D Structure of N-[(1S,4S,4aS,5R,6R,8aS)-4-[(2R,5R)-5-chloro-2,6,6-trimethyloxan-2-yl]-6-hydroxy-1,6-dimethyl-5-(methylideneamino)-2,3,4,4a,5,7,8,8a-octahydronaphthalen-1-yl]formamide")
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 97.17% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.61% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.48% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 94.48% | 96.61% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.77% | 96.09% |
| CHEMBL4072 | P07858 | Cathepsin B | 89.03% | 93.67% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.26% | 89.34% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.92% | 100.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 87.25% | 85.30% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.33% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.64% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.52% | 95.56% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.95% | 96.43% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.62% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.78% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.39% | 97.14% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 82.66% | 95.69% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.92% | 95.38% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.66% | 97.47% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.37% | 93.00% |
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 | 162920876 |
| LOTUS | LTS0071541 |
| wikiData | Q104991084 |