(1S,4S,6R,9S,10R,13R,14R)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-6,14-diol
| Internal ID | 53e641d9-6861-4194-912f-9d71b3c4afd3 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | (1S,4S,6R,9S,10R,13R,14R)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-6,14-diol |
| SMILES (Canonical) | CC1(C2CCC34CC(CCC3C2(CCC1O)C)C(C4)(CO)O)C |
| SMILES (Isomeric) | C[C@@]12CC[C@H](C([C@H]1CC[C@]34[C@H]2CC[C@H](C3)[C@](C4)(CO)O)(C)C)O |
| InChI | InChI=1S/C20H34O3/c1-17(2)14-6-9-19-10-13(20(23,11-19)12-21)4-5-15(19)18(14,3)8-7-16(17)22/h13-16,21-23H,4-12H2,1-3H3/t13-,14-,15+,16-,18-,19+,20+/m1/s1 |
| InChI Key | JRMZVZSBORMZSD-QMBFBYQJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O3 |
| Molecular Weight | 322.50 g/mol |
| Exact Mass | 322.25079494 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 3.40 |
| NSC-812215 |
![2D Structure of (1S,4S,6R,9S,10R,13R,14R)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-6,14-diol](https://plantaedb.com/storage/docs/compounds/2023/11/630aef00-869b-11ee-88f8-bfc8e07b56b3.jpg "2D Structure of (1S,4S,6R,9S,10R,13R,14R)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-6,14-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.40% | 95.93% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.11% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.08% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.95% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.66% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.28% | 91.11% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 86.72% | 87.16% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 85.68% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.52% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.49% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.49% | 82.69% |
| CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 83.80% | 95.42% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.59% | 95.50% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 82.27% | 98.10% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.89% | 92.86% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 81.77% | 89.05% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.16% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.03% | 96.38% |
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.
| Beyeria lechenaultii |
| Diospyros maritima |
| Hymenopappus newberryi |
| Smallanthus sonchifolius |
| PubChem | 26196128 |
| LOTUS | LTS0068200 |
| wikiData | Q105134003 |