1-[(8R)-1-(2,3-dimethoxyphenyl)pentadecan-8-yl]-3,4-dimethoxy-2-pentadecylbenzene
| Internal ID | ddd43774-001a-4781-a219-8fedf1fc4450 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Methoxybenzenes > Dimethoxybenzenes |
| IUPAC Name | 1-[(8R)-1-(2,3-dimethoxyphenyl)pentadecan-8-yl]-3,4-dimethoxy-2-pentadecylbenzene |
| SMILES (Canonical) | CCCCCCCCCCCCCCCC1=C(C=CC(=C1OC)OC)C(CCCCCCC)CCCCCCCC2=C(C(=CC=C2)OC)OC |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCC1=C(C=CC(=C1OC)OC)[C@H](CCCCCCC)CCCCCCCC2=C(C(=CC=C2)OC)OC |
| InChI | InChI=1S/C46H78O4/c1-7-9-11-13-14-15-16-17-18-19-20-25-29-35-42-41(37-38-44(48-4)46(42)50-6)39(31-26-22-12-10-8-2)32-27-23-21-24-28-33-40-34-30-36-43(47-3)45(40)49-5/h30,34,36-39H,7-29,31-33,35H2,1-6H3/t39-/m1/s1 |
| InChI Key | VMFMKIAIWQZEEX-LDLOPFEMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C46H78O4 |
| Molecular Weight | 695.10 g/mol |
| Exact Mass | 694.59001097 g/mol |
| Topological Polar Surface Area (TPSA) | 36.90 Ų |
| XlogP | 18.70 |
| There are no found synonyms. |
![2D Structure of 1-[(8R)-1-(2,3-dimethoxyphenyl)pentadecan-8-yl]-3,4-dimethoxy-2-pentadecylbenzene](https://plantaedb.com/storage/docs/compounds/2023/11/1-8r-1-23-dimethoxyphenylpentadecan-8-yl-34-dimethoxy-2-pentadecylbenzene.jpg "2D Structure of 1-[(8R)-1-(2,3-dimethoxyphenyl)pentadecan-8-yl]-3,4-dimethoxy-2-pentadecylbenzene")
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 99.67% | 89.76% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 98.22% | 92.08% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 96.54% | 93.31% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.36% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.21% | 96.09% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 93.98% | 95.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.45% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.43% | 96.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.21% | 93.99% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.91% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.13% | 93.56% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 90.81% | 94.03% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 90.33% | 90.20% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.28% | 89.62% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 87.95% | 96.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.47% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.38% | 98.75% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 86.82% | 92.98% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.34% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.00% | 97.21% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 82.13% | 90.24% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.70% | 92.62% |
| CHEMBL3891 | P07384 | Calpain 1 | 81.35% | 93.04% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.01% | 82.38% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.73% | 91.81% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 80.37% | 97.23% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.20% | 95.50% |
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.
| Stemona japonica |
| Stemona pierrei |
| Toxicodendron vernicifluum |
| PubChem | 163030215 |
| LOTUS | LTS0104832 |
| wikiData | Q105033484 |