Seco-coccinic acid C
| Internal ID | a0bcd5b3-26c7-4ee2-9291-74547d8ed420 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 3-[(3R,3aR,5aR,6S,7S,9bR)-3-[(2R)-6-hydroxy-6-methyl-4-oxoheptan-2-yl]-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,5a,7,8-octahydrocyclopenta[a]naphthalen-6-yl]propanoic acid |
| SMILES (Canonical) | CC(CC(=O)CC(C)(C)O)C1CCC2(C1(CCC3C2=CCC(C3(C)CCC(=O)O)C(=C)C)C)C |
| SMILES (Isomeric) | C[C@H](CC(=O)CC(C)(C)O)[C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC[C@H]([C@]3(C)CCC(=O)O)C(=C)C)C)C |
| InChI | InChI=1S/C30H48O4/c1-19(2)22-9-10-25-24(28(22,6)14-13-26(32)33)12-16-29(7)23(11-15-30(25,29)8)20(3)17-21(31)18-27(4,5)34/h10,20,22-24,34H,1,9,11-18H2,2-8H3,(H,32,33)/t20-,22+,23-,24+,28+,29-,30+/m1/s1 |
| InChI Key | RUOXENRTLGLVCZ-HGFRCQJKSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H48O4 |
| Molecular Weight | 472.70 g/mol |
| Exact Mass | 472.35526001 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 6.30 |
| CHEMBL519580 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.23% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.53% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.93% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.73% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.36% | 98.95% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.39% | 93.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.99% | 90.17% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 88.09% | 92.26% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.99% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.49% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.18% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.57% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.19% | 96.61% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 84.00% | 95.17% |
| CHEMBL5028 | O14672 | ADAM10 | 83.27% | 97.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.99% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.43% | 97.09% |
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.
| Kadsura coccinea |
| PubChem | 44585545 |
| LOTUS | LTS0076612 |
| wikiData | Q105245722 |