(Z,6R)-6-[(9bR)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,7,8,9-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid
| Internal ID | 1d8717eb-d897-462b-aaee-544b0c016f9f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (Z,6R)-6-[(9bR)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,7,8,9-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid |
| SMILES (Canonical) | CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC3=C2CCC(C3(C)CCC(=O)O)C(=C)C)C)C |
| SMILES (Isomeric) | C[C@H](CC/C=C(/C)\C(=O)O)C1CC[C@@]2(C1(CCC3=C2CCC(C3(C)CCC(=O)O)C(=C)C)C)C |
| InChI | InChI=1S/C30H46O4/c1-19(2)22-11-12-25-24(28(22,5)16-15-26(31)32)14-18-29(6)23(13-17-30(25,29)7)20(3)9-8-10-21(4)27(33)34/h10,20,22-23H,1,8-9,11-18H2,2-7H3,(H,31,32)(H,33,34)/b21-10-/t20-,22?,23?,28?,29?,30+/m1/s1 |
| InChI Key | SOWPPACPMKVOEL-CBCWMOAXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H46O4 |
| Molecular Weight | 470.70 g/mol |
| Exact Mass | 470.33960994 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 7.70 |
| There are no found synonyms. |
![2D Structure of (Z,6R)-6-[(9bR)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,7,8,9-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/bb65a630-854d-11ee-afec-cbad9e8a3945.jpg "2D Structure of (Z,6R)-6-[(9bR)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,7,8,9-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.94% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.44% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.84% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.95% | 91.19% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 91.42% | 93.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.22% | 100.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.24% | 95.17% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.90% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.77% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.61% | 94.75% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 85.21% | 95.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.19% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.62% | 93.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.11% | 89.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 83.00% | 97.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.72% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.12% | 90.71% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.97% | 93.31% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.94% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.89% | 92.94% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.39% | 96.47% |
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.
| Schisandra propinqua |
| PubChem | 5319267 |
| LOTUS | LTS0009926 |
| wikiData | Q105257254 |