(1S,4S,5R,9S,10R,13R,14R)-5-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carbaldehyde
| Internal ID | 78b9ee77-b43a-494d-9968-7415f04e774a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | (1S,4S,5R,9S,10R,13R,14R)-5-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carbaldehyde |
| SMILES (Canonical) | CC1(CCCC2(C1CCC34C2CCC(C3)C(C4)C=O)C)CO |
| SMILES (Isomeric) | C[C@]1(CCC[C@@]2([C@@H]1CC[C@]34[C@H]2CC[C@H](C3)[C@@H](C4)C=O)C)CO |
| InChI | InChI=1S/C20H32O2/c1-18(13-22)7-3-8-19(2)16(18)6-9-20-10-14(4-5-17(19)20)15(11-20)12-21/h12,14-17,22H,3-11,13H2,1-2H3/t14-,15+,16-,17+,18+,19-,20+/m1/s1 |
| InChI Key | YBVDMWNELWDTKN-BHNCTZQBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O2 |
| Molecular Weight | 304.50 g/mol |
| Exact Mass | 304.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of (1S,4S,5R,9S,10R,13R,14R)-5-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/8103ca70-8642-11ee-98af-0fc417b21513.jpg "2D Structure of (1S,4S,5R,9S,10R,13R,14R)-5-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carbaldehyde")
| 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 | 97.73% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.38% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.28% | 96.61% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 90.00% | 95.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.17% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.81% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.59% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.30% | 95.93% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 84.53% | 86.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.45% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.02% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.70% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.65% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.61% | 95.56% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 81.54% | 99.29% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 81.47% | 98.10% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.79% | 97.47% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 80.35% | 100.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.07% | 95.38% |
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.
| Baccharis minutiflora |
| PubChem | 162847311 |
| LOTUS | LTS0128311 |
| wikiData | Q105346068 |