CID 6711942
| Internal ID | c057f989-d8f3-40b7-9b97-e5c9ecfd9c51 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Biflorane and serrulatane diterpenoids |
| IUPAC Name | (1R,2R,4aS,8S)-8-[(2R,5S)-5-chloro-2,6,6-trimethyloxan-2-yl]-1-isocyano-2-methyl-5-methylidene-1,3,4,4a,6,7,8,8a-octahydronaphthalen-2-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H32ClNO2/c1-13-7-8-15(21(5)12-10-16(22)19(2,3)25-21)17-14(13)9-11-20(4,24)18(17)23-6/h14-18,24H,1,7-12H2,2-5H3/t14-,15+,16+,17?,18-,20-,21-/m1/s1 |
| InChI Key | WNCZWKCUIVEIGJ-ZWOJUXLASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H32ClNO2 |
| Molecular Weight | 365.90 g/mol |
| Exact Mass | 365.2121570 g/mol |
| Topological Polar Surface Area (TPSA) | 33.80 Ų |
| XlogP | 3.30 |
| CHEMBL1974585 |
| NSC647641 |
| NSC-647641 |
| NCI60_016582 |
| 2-Naphthalenol,6,6-trimethyl-2H-pyran-2-yl)decahydro-1-isocyano-2-methyl-5-methylene-, |
| 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 | 96.23% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.57% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.96% | 100.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 89.03% | 89.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.81% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.14% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.41% | 92.94% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 83.87% | 98.35% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.95% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.81% | 90.17% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.38% | 95.38% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 81.08% | 97.64% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.04% | 95.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.00% | 97.79% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.26% | 93.04% |
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 | 6711942 |
| LOTUS | LTS0131367 |
| wikiData | Q105308996 |