[(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-6,6-dimethyl-5-methylideneheptan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
| Internal ID | ec3b1a15-a81f-4e7c-b8c9-bdc6e2c9904d |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | [(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-6,6-dimethyl-5-methylideneheptan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H56O2/c1-22(11-12-23(2)29(4,5)6)25-15-17-32(10)27-14-13-26-30(7,8)28(36-24(3)35)16-18-33(26)21-34(27,33)20-19-31(25,32)9/h22,25-28H,2,11-21H2,1,3-10H3/t22-,25-,26+,27+,28+,31-,32+,33-,34+/m1/s1 |
| InChI Key | HBVBENINMOWHEK-QOHBYMPJSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C34H56O2 |
| Molecular Weight | 496.80 g/mol |
| Exact Mass | 496.42803102 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 11.40 |
| There are no found synonyms. |
![2D Structure of [(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-6,6-dimethyl-5-methylideneheptan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/abfa6d00-85b0-11ee-aa6e-4bdf380096c0.jpg "2D Structure of [(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-6,6-dimethyl-5-methylideneheptan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.51% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.28% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.13% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.59% | 91.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 92.12% | 89.34% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.03% | 98.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.00% | 95.17% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.85% | 82.69% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.89% | 98.75% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.92% | 100.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.39% | 96.90% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.18% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.03% | 92.62% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.79% | 96.77% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 84.70% | 94.78% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.65% | 91.19% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 84.20% | 98.05% |
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 84.07% | 99.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.70% | 93.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.65% | 89.05% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.98% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.14% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.08% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.54% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.10% | 97.14% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.99% | 95.71% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.19% | 95.50% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.01% | 89.50% |
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.
| Neolitsea sericea |
| PubChem | 162848831 |
| LOTUS | LTS0223383 |
| wikiData | Q105025504 |