22,27-Dinor-zyggomphic acid B
| Internal ID | 8ce4807a-a2ff-4039-a573-0a1a5558786d |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Styrenes |
| IUPAC Name | (1R,3aR,4R,5S,7aS)-1,3,4,5,7-pentamethyl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-3a,7a-dihydro-1H-indene-4-carboxylic acid |
| SMILES (Canonical) | CC1C=C(C2C1C(=CC(C2(C)C(=O)O)(C)C=CC=CC3=CC=CC=C3)C)C |
| SMILES (Isomeric) | C[C@@H]1C=C([C@H]2[C@H]1C(=C[C@]([C@]2(C)C(=O)O)(C)/C=C/C=C/C3=CC=CC=C3)C)C |
| InChI | InChI=1S/C25H30O2/c1-17-15-18(2)22-21(17)19(3)16-24(4,25(22,5)23(26)27)14-10-9-13-20-11-7-6-8-12-20/h6-17,21-22H,1-5H3,(H,26,27)/b13-9+,14-10+/t17-,21-,22+,24+,25+/m1/s1 |
| InChI Key | KNDMYWMVTUEPLZ-MACPZBPUSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C25H30O2 |
| Molecular Weight | 362.50 g/mol |
| Exact Mass | 362.224580195 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 5.50 |
| 22,27-DINOR-ZYGGOMPHIC ACID B |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.42% | 95.56% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 93.88% | 92.51% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.37% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.31% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.03% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.30% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.84% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.99% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.53% | 89.00% |
| CHEMBL5028 | O14672 | ADAM10 | 82.99% | 97.50% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.70% | 94.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.73% | 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.
| There are no matching plants. |
| PubChem | 46938548 |
| LOTUS | LTS0086930 |
| wikiData | Q105143350 |