(Z,6R)-6-[(2R,4aR,7R,8S,9aS)-8-(carboxymethyl)-7-(2-carboxypropan-2-yl)-4a,8-dimethyl-1-methylidene-2,3,4,5,6,7,9,9a-octahydrofluoren-2-yl]-2-methylhept-2-enoic acid
| Internal ID | 756febde-66fe-49ea-a003-a0bd26666537 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (Z,6R)-6-[(2R,4aR,7R,8S,9aS)-8-(carboxymethyl)-7-(2-carboxypropan-2-yl)-4a,8-dimethyl-1-methylidene-2,3,4,5,6,7,9,9a-octahydrofluoren-2-yl]-2-methylhept-2-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H44O6/c1-17(9-8-10-18(2)26(33)34)20-13-14-29(6)21-11-12-24(28(4,5)27(35)36)30(7,16-25(31)32)23(21)15-22(29)19(20)3/h10,17,20,22,24H,3,8-9,11-16H2,1-2,4-7H3,(H,31,32)(H,33,34)(H,35,36)/b18-10-/t17-,20-,22+,24+,29+,30-/m1/s1 |
| InChI Key | ZFHFPJFDGITNFX-BMEWFBCLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H44O6 |
| Molecular Weight | 500.70 g/mol |
| Exact Mass | 500.31378912 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of (Z,6R)-6-[(2R,4aR,7R,8S,9aS)-8-(carboxymethyl)-7-(2-carboxypropan-2-yl)-4a,8-dimethyl-1-methylidene-2,3,4,5,6,7,9,9a-octahydrofluoren-2-yl]-2-methylhept-2-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2ad27bf0-863a-11ee-8eaa-9d9b943c2ae8.jpg "2D Structure of (Z,6R)-6-[(2R,4aR,7R,8S,9aS)-8-(carboxymethyl)-7-(2-carboxypropan-2-yl)-4a,8-dimethyl-1-methylidene-2,3,4,5,6,7,9,9a-octahydrofluoren-2-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.49% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.81% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.72% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.78% | 94.45% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 91.85% | 93.00% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 90.88% | 95.69% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 90.58% | 93.04% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.38% | 93.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.58% | 91.19% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.25% | 96.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.16% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.14% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.59% | 95.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.45% | 96.47% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.36% | 95.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.15% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.02% | 98.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.78% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.33% | 90.17% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.21% | 96.61% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.70% | 97.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.62% | 97.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.09% | 96.43% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.33% | 98.33% |
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 | 122181857 |
| LOTUS | LTS0195156 |
| wikiData | Q105374158 |