Porwenin A
| Internal ID | 4beafa78-ff04-4c41-9633-272fee01bd6d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
| IUPAC Name | (4aS,7R,8S,8aR)-8-[(Z)-5-hydroxy-3-(hydroxymethyl)pent-3-enyl]-7,8-dimethyl-4-methylidene-2,3,5,6,7,8a-hexahydro-1H-naphthalene-4a-carboxylic acid |
| SMILES (Canonical) | CC1CCC2(C(C1(C)CCC(=CCO)CO)CCCC2=C)C(=O)O |
| SMILES (Isomeric) | C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CC/C(=C/CO)/CO)CCCC2=C)C(=O)O |
| InChI | InChI=1S/C20H32O4/c1-14-7-11-20(18(23)24)15(2)5-4-6-17(20)19(14,3)10-8-16(13-22)9-12-21/h9,14,17,21-22H,2,4-8,10-13H2,1,3H3,(H,23,24)/b16-9-/t14-,17-,19+,20-/m1/s1 |
| InChI Key | HVZFLMOCARQHTL-PBUBQFPOSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H32O4 |
| Molecular Weight | 336.50 g/mol |
| Exact Mass | 336.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 3.50 |
| (4aS,7R,8S,8aR)-8-[(Z)-5-hydroxy-3-(hydroxymethyl)pent-3-enyl]-7,8-dimethyl-4-methylidene-2,3,5,6,7,8a-hexahydro-1H-naphthalene-4a-carboxylic 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 | 93.95% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.01% | 91.11% |
| CHEMBL233 | P35372 | Mu opioid receptor | 88.68% | 97.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.49% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.22% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.57% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.98% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.92% | 93.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.84% | 91.19% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.91% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.53% | 94.45% |
| CHEMBL5028 | O14672 | ADAM10 | 80.25% | 97.50% |
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 | 11056820 |
| LOTUS | LTS0112475 |
| wikiData | Q105034560 |