Ochracene B
| Internal ID | 0bf154c0-bddf-4e8e-854e-bdf3eaf9455a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Monocyclic monoterpenoids |
| IUPAC Name | (2R)-5-hydroxy-2-[(5S)-2,5,6-trimethylcyclohepta-1,6-dien-1-yl]pentanoic acid |
| SMILES (Canonical) | CC1CCC(=C(C=C1C)C(CCCO)C(=O)O)C |
| SMILES (Isomeric) | C[C@H]1CCC(=C(C=C1C)[C@@H](CCCO)C(=O)O)C |
| InChI | InChI=1S/C15H24O3/c1-10-6-7-11(2)14(9-12(10)3)13(15(17)18)5-4-8-16/h9-10,13,16H,4-8H2,1-3H3,(H,17,18)/t10-,13+/m0/s1 |
| InChI Key | XMWSGTDUFOXRIG-GXFFZTMASA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H24O3 |
| Molecular Weight | 252.35 g/mol |
| Exact Mass | 252.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 1.90 |
| (2R)-5-hydroxy-2-[(5S)-2,5,6-trimethylcyclohepta-1,6-dien-1-yl]pentanoic acid |
| (2R)-5-Hydroxy-2-((5S)-2,5,6-trimethylcyclohepta-1,6-dien-1-yl)pentanoate |
| (2R)-5-hydroxy-2-((5S)-2,5,6-trimethylcyclohepta-1,6-dien-1-yl)pentanoic acid |
| (2R)-5-Hydroxy-2-[(5S)-2,5,6-trimethylcyclohepta-1,6-dien-1-yl]pentanoate |
| RefChem:167452 |
| CHEMBL4214106 |
| CHEBI:207703 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.84% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.62% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.00% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.27% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.17% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.68% | 97.25% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 85.91% | 86.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.76% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.66% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.64% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.56% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.28% | 91.19% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.18% | 90.71% |
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 | 132487829 |
| LOTUS | LTS0214158 |
| wikiData | Q105331476 |