(1R,2R,4aS,5S,8S,8aS)-8-[(2R,5R)-5-chloro-2,6,6-trimethyloxan-2-yl]-2,5-dimethyl-1,5-bis(methylideneamino)-1,3,4,4a,6,7,8,8a-octahydronaphthalen-2-ol
| Internal ID | 868d95e5-1361-43df-a1b4-e83af05481b9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Biflorane and serrulatane diterpenoids |
| IUPAC Name | (1R,2R,4aS,5S,8S,8aS)-8-[(2R,5R)-5-chloro-2,6,6-trimethyloxan-2-yl]-2,5-dimethyl-1,5-bis(methylideneamino)-1,3,4,4a,6,7,8,8a-octahydronaphthalen-2-ol |
| SMILES (Canonical) | CC1(C(CCC(O1)(C)C2CCC(C3C2C(C(CC3)(C)O)N=C)(C)N=C)Cl)C |
| SMILES (Isomeric) | C[C@@]1(CC[C@@H]([C@@H]2[C@@H]1CC[C@@]([C@@H]2N=C)(C)O)[C@]3(CC[C@H](C(O3)(C)C)Cl)C)N=C |
| InChI | InChI=1S/C22H37ClN2O2/c1-19(2)16(23)10-13-22(5,27-19)15-8-11-20(3,25-7)14-9-12-21(4,26)18(24-6)17(14)15/h14-18,26H,6-13H2,1-5H3/t14-,15-,16+,17-,18+,20-,21+,22+/m0/s1 |
| InChI Key | QOEVUIRXHICMBB-JVKCDKLRSA-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 (1R,2R,4aS,5S,8S,8aS)-8-[(2R,5R)-5-chloro-2,6,6-trimethyloxan-2-yl]-2,5-dimethyl-1,5-bis(methylideneamino)-1,3,4,4a,6,7,8,8a-octahydronaphthalen-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/90192a20-822b-11ee-bcca-a746d9f44078.jpg "2D Structure of (1R,2R,4aS,5S,8S,8aS)-8-[(2R,5R)-5-chloro-2,6,6-trimethyloxan-2-yl]-2,5-dimethyl-1,5-bis(methylideneamino)-1,3,4,4a,6,7,8,8a-octahydronaphthalen-2-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 | 97.06% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.38% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.37% | 96.61% |
| CHEMBL240 | Q12809 | HERG | 92.35% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.27% | 96.09% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 89.12% | 89.05% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.95% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.09% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.59% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.55% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.31% | 95.50% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.36% | 95.38% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.17% | 93.04% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 81.16% | 83.57% |
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.
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| There are no matching plants. |
| PubChem | 163084287 |
| LOTUS | LTS0181588 |
| wikiData | Q105224849 |