Thujane
| Internal ID | 5d374df9-6f41-4f02-b9ed-266d27333208 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | 4-methyl-1-propan-2-ylbicyclo[3.1.0]hexane |
| SMILES (Canonical) | CC1CCC2(C1C2)C(C)C |
| SMILES (Isomeric) | CC1CCC2(C1C2)C(C)C |
| InChI | InChI=1S/C10H18/c1-7(2)10-5-4-8(3)9(10)6-10/h7-9H,4-6H2,1-3H3 |
| InChI Key | GCTNBVHDRFKLLK-UHFFFAOYSA-N |
| Popularity | 53 references in papers |
| Molecular Formula | C10H18 |
| Molecular Weight | 138.25 g/mol |
| Exact Mass | 138.140850574 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 3.90 |
| Dihydrosabinene |
| 471-12-5 |
| 4-methyl-1-propan-2-ylbicyclo[3.1.0]hexane |
| 4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexane |
| 1-Isopropyl-4-methylbicyclo[3.1.0]hexane |
| 4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexane |
| 11052-97-4 |
| Sabinane (cis) |
| CHEBI:35709 |
| DTXSID30275769 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 97.64% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.63% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.99% | 97.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.91% | 96.38% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 86.87% | 99.18% |
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 84.70% | 99.00% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 82.16% | 98.05% |
| CHEMBL3869 | P50281 | Matrix metalloproteinase 14 | 81.93% | 93.10% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.89% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.80% | 100.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.24% | 94.80% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.61% | 97.14% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.47% | 90.17% |
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.
| Haplopappus foliosus |
| Hyptis suaveolens |
| PubChem | 79017 |
| LOTUS | LTS0039335 |
| wikiData | Q27116573 |