d-Abienol
| Internal ID | a465f9ca-6d60-4def-9657-9e6e32be274b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-[(2E)-3-methylpenta-2,4-dienyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol |
| SMILES (Canonical) | CC(=CCC1C2(CCCC(C2CCC1(C)O)(C)C)C)C=C |
| SMILES (Isomeric) | C/C(=C\C[C@@H]1[C@]2(CCCC([C@@H]2CC[C@@]1(C)O)(C)C)C)/C=C |
| InChI | InChI=1S/C20H34O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,9,16-17,21H,1,8,10-14H2,2-6H3/b15-9+/t16-,17+,19-,20+/m0/s1 |
| InChI Key | ZAZVCYBIABTSJR-ITALKTEQSA-N |
| Popularity | 16 references in papers |
| Molecular Formula | C20H34O |
| Molecular Weight | 290.50 g/mol |
| Exact Mass | 290.260965704 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 6.40 |
| trans-abienol |
| 1616-86-0 |
| 2-Naphthalenol, decahydro-2,5,5,8a-tetramethyl-1-(3-methyl-2,4-pentadienyl)-, (1R,2R,4aS,8aS)- |
| Z-abienol |
| SCHEMBL8731628 |
| (12Z)-labda-12,14-dien-8alphaol |
| Q67880120 |
| (1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-[(2E)-3-methylpenta-2,4-dienyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol |
| (1R,4aalpha)-Decahydro-2,5,5,8abeta-tetramethyl-1beta-(3-methyl-2,4-pentadienyl)-naphthalen-2alpha-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.38% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.63% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.83% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.84% | 96.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 89.14% | 97.93% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.21% | 82.69% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 87.63% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.18% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.17% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.53% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.01% | 92.94% |
| CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 | 81.69% | 97.34% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.20% | 97.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.10% | 98.95% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 81.08% | 95.92% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.70% | 97.05% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 80.41% | 97.56% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.28% | 99.18% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.17% | 100.00% |
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.
| Pinus strobus |
| Stevia sarensis |
| PubChem | 643003 |
| LOTUS | LTS0267163 |
| wikiData | Q67880120 |