(S)-beta-himachalene
| Internal ID | a01b2085-3864-46e5-954c-eb420056bcef |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Himachalane and lippifoliane sesquiterpenoids |
| IUPAC Name | (4aS)-3,5,5,9-tetramethyl-1,2,4a,6,7,8-hexahydrobenzo[7]annulene |
| SMILES (Canonical) | CC1=CC2C(=C(CCCC2(C)C)C)CC1 |
| SMILES (Isomeric) | CC1=C[C@@H]2C(=C(CCCC2(C)C)C)CC1 |
| InChI | InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h10,14H,5-9H2,1-4H3/t14-/m1/s1 |
| InChI Key | LCOSCMLXPAQCLQ-CQSZACIVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H24 |
| Molecular Weight | 204.35 g/mol |
| Exact Mass | 204.187800766 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 3.90 |
| (4aS)-3,5,5,9-tetramethyl-2,4a,5,6,7,8-hexahydro-1H-benzo[7]annulene 6beta-himachal-1(11),4-diene |
| CHEBI:49213 |
| 6beta-himachal-1(11),4-diene |
| LMPR0103480006 |
| Q27121536 |
| (4aS)-3,5,5,9-tetramethyl-1,2,4a,6,7,8-hexahydrobenzo[7]annulene |
| (4aS)-3,5,5,9-tetramethyl-2,4a,5,6,7,8-hexahydro-1H-benzo[7]annulene |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.07% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.98% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.08% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.17% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.09% | 100.00% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 83.95% | 96.25% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.35% | 93.40% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 82.81% | 86.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.15% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.62% | 97.79% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.19% | 95.89% |
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.
| Abies alba |
| Mosla chinensis |
| PubChem | 24798710 |
| LOTUS | LTS0141719 |
| wikiData | Q27121536 |