(1S,4R,6R,7Z,11E)-2,7,11-cembratriene-4,6-diol
| Internal ID | b174b790-eb86-4554-9d64-774714a389e1 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Cembrane diterpenoids |
| IUPAC Name | (1R,3R,4E,8E,12S,13E)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol |
| SMILES (Canonical) | CC1=CCCC(=CC(CC(C=CC(CC1)C(C)C)(C)O)O)C |
| SMILES (Isomeric) | C/C/1=C\CC/C(=C/[C@@H](C[C@@](/C=C/[C@@H](CC1)C(C)C)(C)O)O)/C |
| InChI | InChI=1S/C20H34O2/c1-15(2)18-10-9-16(3)7-6-8-17(4)13-19(21)14-20(5,22)12-11-18/h7,11-13,15,18-19,21-22H,6,8-10,14H2,1-5H3/b12-11+,16-7+,17-13+/t18-,19+,20+/m1/s1 |
| InChI Key | RIVKDDXPCFBMOV-PZSVDHCGSA-N |
| Popularity | 2 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 | 4.00 |
| SCHEMBL10021021 |
| NSC749374 |
| NSC751727 |
| NSC-749374 |
| NSC-751727 |
| (1S,4R,6R,7Z,11E)-2,7,11-cembratriene-4,6-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.10% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.33% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.71% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.41% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.22% | 96.61% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.42% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.84% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.45% | 95.56% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.42% | 96.43% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.48% | 90.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.55% | 90.17% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.27% | 95.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.95% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.70% | 93.56% |
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.
| Nicotiana sylvestris |
| Nicotiana tabacum |
| PubChem | 10946717 |
| NPASS | NPC181872 |
| ChEMBL | CHEMBL405787 |
| LOTUS | LTS0008758 |
| wikiData | Q105237190 |