Dolabradiene
| Internal ID | 89aea0d2-5331-4518-9237-f35626b62e3f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
| IUPAC Name | (2S,4aR,4bS,8aS,10aR)-2-ethenyl-2,4a,8a-trimethyl-8-methylidene-1,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene |
| SMILES (Canonical) | CC1(CCC2(C(C1)CCC3(C2CCCC3=C)C)C)C=C |
| SMILES (Isomeric) | C[C@@]1(CC[C@@]2([C@@H](C1)CC[C@]3([C@H]2CCCC3=C)C)C)C=C |
| InChI | InChI=1S/C20H32/c1-6-18(3)12-13-20(5)16(14-18)10-11-19(4)15(2)8-7-9-17(19)20/h6,16-17H,1-2,7-14H2,3-5H3/t16-,17-,18+,19-,20-/m1/s1 |
| InChI Key | GHYZJFFJSPZRIU-OUUBHVDSSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H32 |
| Molecular Weight | 272.50 g/mol |
| Exact Mass | 272.250401021 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 7.30 |
| 3650-13-3 |
| CHEBI:141822 |
| DTXSID301124197 |
| C22008 |
| Q67879855 |
| (4aS,4bR,7S,8aR,10aS)-4b,7,10a-trimethyl-1-methylene-7-vinyltetradecahydrophenanthrene |
| (4aS,4bR,7S,8aR,10aS)-7-Ethenyltetradecahydro-4b,7,10a-trimethyl-1-methylenephenanthrene |
| (2S,4aR,4bS,8aS,10aR)-2-ethenyl-2,4a,8a-trimethyl-8-methylidene-1,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene |
| (4aS,4bR,7S,8aR,10aS)-7-Ethenyl-4b,7,10a-trimethyl-1-methylidenetetradecahydrophenanthrene |
| 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 | 92.94% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.59% | 91.11% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 89.22% | 95.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.12% | 100.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 87.66% | 98.10% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 86.82% | 97.36% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.52% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.13% | 96.09% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 84.23% | 99.43% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.86% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.72% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.44% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.48% | 95.50% |
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.
| Araucaria columnaris |
| Chamaecyparis pisifera |
| Thuja standishii |
| Thujopsis dolabrata |
| PubChem | 12309316 |
| LOTUS | LTS0149365 |
| wikiData | Q67879855 |