(1R,2R,4aS,5R,8aS)-1-(hydroxymethyl)-1,4a-dimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol
| Internal ID | 92861512-e289-48df-9ac2-a20eadd4f9e6 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1R,2R,4aS,5R,8aS)-1-(hydroxymethyl)-1,4a-dimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol |
| SMILES (Canonical) | CC(=CCC1C(=C)CCC2C1(CCC(C2(C)CO)O)C)C=C |
| SMILES (Isomeric) | C/C(=C\C[C@@H]1C(=C)CC[C@H]2[C@]1(CC[C@H]([C@@]2(C)CO)O)C)/C=C |
| InChI | InChI=1S/C20H32O2/c1-6-14(2)7-9-16-15(3)8-10-17-19(16,4)12-11-18(22)20(17,5)13-21/h6-7,16-18,21-22H,1,3,8-13H2,2,4-5H3/b14-7+/t16-,17+,18-,19+,20+/m1/s1 |
| InChI Key | QKSJAAYFFAZIIF-HPNWIXDZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O2 |
| Molecular Weight | 304.50 g/mol |
| Exact Mass | 304.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of (1R,2R,4aS,5R,8aS)-1-(hydroxymethyl)-1,4a-dimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/9031c970-81d3-11ee-a15e-9b03e742959f.jpg "2D Structure of (1R,2R,4aS,5R,8aS)-1-(hydroxymethyl)-1,4a-dimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol")
| 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 | 92.05% | 91.11% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 89.98% | 99.43% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.03% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.60% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.86% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.52% | 82.69% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.15% | 95.93% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.10% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.68% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.59% | 90.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.98% | 95.89% |
| CHEMBL4246 | P42680 | Tyrosine-protein kinase TEC | 80.52% | 82.05% |
| CHEMBL5028 | O14672 | ADAM10 | 80.13% | 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.
| Mikania alvimii |
| PubChem | 162881256 |
| LOTUS | LTS0121647 |
| wikiData | Q105223293 |