(1S,4S,9R,10R,13R,14R)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-ol
Internal ID | 00f8fada-45e2-4d33-9542-9797f72a5e1e |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
IUPAC Name | (1S,4S,9R,10R,13R,14R)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-ol |
SMILES (Canonical) | CC1(CCCC2(C1CCC34C2CCC(C3)C(C4)(CO)O)C)C |
SMILES (Isomeric) | C[C@@]12CCCC([C@@H]1CC[C@]34[C@H]2CC[C@H](C3)[C@](C4)(CO)O)(C)C |
InChI | InChI=1S/C20H34O2/c1-17(2)8-4-9-18(3)15(17)7-10-19-11-14(5-6-16(18)19)20(22,12-19)13-21/h14-16,21-22H,4-13H2,1-3H3/t14-,15+,16+,18-,19+,20+/m1/s1 |
InChI Key | LCYWCTWYVKIBSA-MXFTUIMMSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H34O2 |
Molecular Weight | 306.50 g/mol |
Exact Mass | 306.255880323 g/mol |
Topological Polar Surface Area (TPSA) | 40.50 Ų |
XlogP | 4.90 |
There are no found synonyms. |
![2D Structure of (1S,4S,9R,10R,13R,14R)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-ol 2D Structure of (1S,4S,9R,10R,13R,14R)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-ol](https://plantaedb.com/storage/docs/compounds/2023/11/ac2c0550-8640-11ee-9059-6b96565eff69.jpg)
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 | 98.19% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.33% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.60% | 97.09% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.34% | 96.09% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.82% | 96.38% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.16% | 95.50% |
CHEMBL233 | P35372 | Mu opioid receptor | 86.51% | 97.93% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.30% | 95.89% |
CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 85.62% | 100.00% |
CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 84.63% | 100.00% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.61% | 82.69% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.67% | 100.00% |
CHEMBL237 | P41145 | Kappa opioid receptor | 83.13% | 98.10% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 82.44% | 95.93% |
CHEMBL4302 | P08183 | P-glycoprotein 1 | 82.23% | 92.98% |
CHEMBL2581 | P07339 | Cathepsin D | 81.26% | 98.95% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.67% | 91.03% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.39% | 100.00% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.19% | 92.62% |
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.
Morithamnus crassus |
PubChem | 162987985 |
LOTUS | LTS0222557 |
wikiData | Q105150070 |