Hericene D
| Internal ID | a602faab-05e7-474d-99f5-f00f3ef2e71a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids |
| IUPAC Name | [4-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-formyl-3-hydroxy-5-methoxyphenyl]methyl (Z)-octadec-9-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H58O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-36(39)42-29-32-27-35(41-5)33(37(40)34(32)28-38)26-25-31(4)23-21-22-30(2)3/h13-14,22,25,27-28,40H,6-12,15-21,23-24,26,29H2,1-5H3/b14-13-,31-25+ |
| InChI Key | UJSYMVCGDZCLIO-LTBKHPPLSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C37H58O5 |
| Molecular Weight | 582.90 g/mol |
| Exact Mass | 582.42842495 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 12.50 |
| (4-(3,7-Dimethylocta-2,6-dien-1-yl)-2-formyl-3-hydroxy-5-methoxyphenyl)methyl (9Z)-octadec-9-enoic acid |
| [4-(3,7-Dimethylocta-2,6-dien-1-yl)-2-formyl-3-hydroxy-5-methoxyphenyl]methyl (9Z)-octadec-9-enoic acid |
| RefChem:145785 |
| Hericene B |
| CHEBI:172758 |
| [4-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ormyl-3-hydroxy-5-methoxyphenyl]methyl (Z)-octadec-9-enoate |
| 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 |
|---|---|---|---|---|
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 99.51% | 92.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 99.07% | 99.17% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 98.39% | 98.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.76% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.48% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.16% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.54% | 96.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 91.06% | 95.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.86% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.43% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.24% | 94.73% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.31% | 91.19% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 84.42% | 82.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.71% | 94.45% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 83.64% | 86.67% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.01% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.96% | 97.21% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 81.52% | 96.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.12% | 92.94% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.16% | 100.00% |
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.
| There are no matching plants. |
| PubChem | 101670645 |
| LOTUS | LTS0137123 |
| wikiData | Q104971453 |