(3R,3aS,6R,10bS)-6,9-dimethyl-3-propan-2-yl-1,2,3,3a,4,5,6,10b-octahydrobenzo[e]azulene
| Internal ID | 97cae93a-9141-46f7-a34b-2186b33b476d |
| Taxonomy | Benzenoids |
| IUPAC Name | (3R,3aS,6R,10bS)-6,9-dimethyl-3-propan-2-yl-1,2,3,3a,4,5,6,10b-octahydrobenzo[e]azulene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H28/c1-12(2)15-9-10-18-17(15)8-6-14(4)16-7-5-13(3)11-19(16)18/h5,7,11-12,14-15,17-18H,6,8-10H2,1-4H3/t14-,15-,17+,18+/m1/s1 |
| InChI Key | DDVLXMNEPBBSDH-LMSBXDPUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H28 |
| Molecular Weight | 256.40 g/mol |
| Exact Mass | 256.219100893 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
![2D Structure of (3R,3aS,6R,10bS)-6,9-dimethyl-3-propan-2-yl-1,2,3,3a,4,5,6,10b-octahydrobenzo[e]azulene](https://plantaedb.com/storage/docs/compounds/2023/11/3r3as6r10bs-69-dimethyl-3-propan-2-yl-1233a45610b-octahydrobenzoeazulene.jpg "2D Structure of (3R,3aS,6R,10bS)-6,9-dimethyl-3-propan-2-yl-1,2,3,3a,4,5,6,10b-octahydrobenzo[e]azulene")
| 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 |
|---|---|---|---|---|
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 95.81% | 97.23% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 94.75% | 94.80% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.50% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.96% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.65% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.52% | 95.56% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 89.07% | 93.18% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.95% | 89.62% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 88.73% | 86.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.36% | 97.09% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 88.14% | 99.18% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 87.61% | 93.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.43% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.42% | 95.89% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.17% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.45% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.18% | 91.11% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 83.08% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.94% | 90.71% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 82.11% | 90.71% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.87% | 90.24% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.77% | 95.89% |
| CHEMBL3568 | P29475 | Nitric-oxide synthase, brain | 80.55% | 95.46% |
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.
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| There are no matching plants. |
| PubChem | 162896908 |
| LOTUS | LTS0226154 |
| wikiData | Q104976911 |