(1R,3S,4S,4aR,8aR)-3,4a,8,8-tetramethyl-4-(3-methylidenepent-4-enyl)-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,3-diol
| Internal ID | 64335b15-4d33-4270-8159-b434c7e62be0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1R,3S,4S,4aR,8aR)-3,4a,8,8-tetramethyl-4-(3-methylidenepent-4-enyl)-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,3-diol |
| SMILES (Canonical) | CC1(CCCC2(C1C(CC(C2CCC(=C)C=C)(C)O)O)C)C |
| SMILES (Isomeric) | C[C@@]12CCCC([C@H]1[C@@H](C[C@]([C@H]2CCC(=C)C=C)(C)O)O)(C)C |
| InChI | InChI=1S/C20H34O2/c1-7-14(2)9-10-16-19(5)12-8-11-18(3,4)17(19)15(21)13-20(16,6)22/h7,15-17,21-22H,1-2,8-13H2,3-6H3/t15-,16+,17-,19+,20+/m1/s1 |
| InChI Key | NOFWEQLJCJWTBS-YSDSKTICSA-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 | 5.60 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.37% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.82% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.18% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.25% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.95% | 96.61% |
| CHEMBL233 | P35372 | Mu opioid receptor | 88.21% | 97.93% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.00% | 95.50% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 86.07% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.71% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.58% | 100.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.15% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.55% | 94.45% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.52% | 95.38% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.43% | 82.69% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.75% | 94.75% |
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.
| Sideritis arborescens |
| PubChem | 163069697 |
| LOTUS | LTS0187729 |
| wikiData | Q105182564 |