[(1S,3S,6R,7S,8R,9R)-3-[(2R,6R)-6-[(1S,4aS,8aR)-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalen-1-yl]heptan-2-yl]-8,9-dihydroxy-2,4,10-trioxabicyclo[4.3.1]decan-7-yl] acetate
| Internal ID | 3f89b840-286f-4615-a194-5b44da9f6fb7 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Biflorane and serrulatane diterpenoids |
| IUPAC Name | [(1S,3S,6R,7S,8R,9R)-3-[(2R,6R)-6-[(1S,4aS,8aR)-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalen-1-yl]heptan-2-yl]-8,9-dihydroxy-2,4,10-trioxabicyclo[4.3.1]decan-7-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H44O7/c1-15-9-11-20-17(3)10-12-21(22(20)13-15)16(2)7-6-8-18(4)27-32-14-23-26(33-19(5)29)24(30)25(31)28(34-23)35-27/h10,13,16,18,20-28,30-31H,6-9,11-12,14H2,1-5H3/t16-,18-,20-,21+,22-,23-,24-,25-,26-,27+,28+/m1/s1 |
| InChI Key | UNPUXBUKESCWCN-NRTPGWCVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H44O7 |
| Molecular Weight | 492.60 g/mol |
| Exact Mass | 492.30870374 g/mol |
| Topological Polar Surface Area (TPSA) | 94.50 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of [(1S,3S,6R,7S,8R,9R)-3-[(2R,6R)-6-[(1S,4aS,8aR)-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalen-1-yl]heptan-2-yl]-8,9-dihydroxy-2,4,10-trioxabicyclo[4.3.1]decan-7-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/a2ec9820-85e7-11ee-b5e3-d90a9e398771.jpg "2D Structure of [(1S,3S,6R,7S,8R,9R)-3-[(2R,6R)-6-[(1S,4aS,8aR)-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalen-1-yl]heptan-2-yl]-8,9-dihydroxy-2,4,10-trioxabicyclo[4.3.1]decan-7-yl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.60% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.21% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.24% | 98.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 93.71% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.38% | 94.73% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.50% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.40% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.20% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.29% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.18% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.90% | 99.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.52% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.44% | 97.09% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.97% | 91.24% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.55% | 95.89% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.31% | 94.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.14% | 90.71% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.26% | 95.93% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.10% | 94.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.84% | 96.47% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.82% | 96.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.88% | 97.21% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 80.58% | 85.31% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.17% | 95.17% |
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 | 162971975 |
| LOTUS | LTS0080887 |
| wikiData | Q105276095 |