2,6-Dimethylnaphthalene
| Internal ID | 181edf74-4576-4575-980b-feff00fe51c5 |
| Taxonomy | Benzenoids > Naphthalenes |
| IUPAC Name | 2,6-dimethylnaphthalene |
| SMILES (Canonical) | CC1=CC2=C(C=C1)C=C(C=C2)C |
| SMILES (Isomeric) | CC1=CC2=C(C=C1)C=C(C=C2)C |
| InChI | InChI=1S/C12H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3-8H,1-2H3 |
| InChI Key | YGYNBBAUIYTWBF-UHFFFAOYSA-N |
| Popularity | 376 references in papers |
| Molecular Formula | C12H12 |
| Molecular Weight | 156.22 g/mol |
| Exact Mass | 156.093900383 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 4.30 |
| 581-42-0 |
| Naphthalene, 2,6-dimethyl- |
| 2,6-DMN |
| 2,6-Dimethyl-naphthalene |
| UNII-76U29QW3FM |
| 76U29QW3FM |
| CHEMBL194983 |
| DTXSID0029187 |
| CHEBI:34251 |
| C14330 |
| 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 |
|---|---|---|---|---|---|
| CHEMBL5282 | P11509 | Cytochrome P450 2A6 |
10000 nM 10000 nM |
IC50 IC50 |
PMID: 15658857
PMID: 19110342 |
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.98% | 95.56% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 86.35% | 92.51% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.49% | 94.73% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 83.77% | 93.18% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.39% | 93.65% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.25% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.17% | 90.00% |
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.
| Nerium oleander |
| PubChem | 11387 |
| NPASS | NPC193578 |
| ChEMBL | CHEMBL194983 |