8-Isopropyl-1,1-dimethyl-2,3,5,10,11,11a-hexahydro-1H-dibenzo[a,d]cycloheptene-6,7-diol-, (11aS)-
| Internal ID | 4db4e933-b5cd-4e26-83b6-1729ff288693 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7-tetraene-4,5-diol |
| SMILES (Canonical) | CC(C)C1=C(C(=C2CC3=CCCC(C3CCC2=C1)(C)C)O)O |
| SMILES (Isomeric) | CC(C)C1=C(C(=C2CC3=CCCC(C3CCC2=C1)(C)C)O)O |
| InChI | InChI=1S/C20H28O2/c1-12(2)15-10-13-7-8-17-14(6-5-9-20(17,3)4)11-16(13)19(22)18(15)21/h6,10,12,17,21-22H,5,7-9,11H2,1-4H3 |
| InChI Key | ZSBGZCORDLYKJB-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H28O2 |
| Molecular Weight | 300.40 g/mol |
| Exact Mass | 300.208930132 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 5.40 |
| 8-Isopropyl-1,1-dimethyl-2,3,5,10,11,11a-hexahydro-1H-dibenzo[a,d]cycloheptene-6,7-diol-, (11aS)- |
| ZSBGZCORDLYKJB-UHFFFAOYSA-N |
| 12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7-tetraene-4,5-diol |
| 1H-Dibenzo[a,d]cycloheptene-6,7-diol, 2,3,5,10,11,11a-hexahydro-1,1-dimethyl-8-(1-methylethyl)-, (11aS)- |
| 1H-Dibenzo[a,d]cycloheptene-6,7-diol, 2,3,5,10,11,11a-hexahydro-1,1-dimethyl-8-(1-methylethyl)-, (S)- |
![2D Structure of 8-Isopropyl-1,1-dimethyl-2,3,5,10,11,11a-hexahydro-1H-dibenzo[a,d]cycloheptene-6,7-diol-, (11aS)-](https://plantaedb.com/storage/docs/compounds/2023/11/8-isopropyl-11-dimethyl-235101111a-hexahydro-1h-dibenzoadcycloheptene-67-diol-11as-.jpg "2D Structure of 8-Isopropyl-1,1-dimethyl-2,3,5,10,11,11a-hexahydro-1H-dibenzo[a,d]cycloheptene-6,7-diol-, (11aS)-")
| 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 | 99.64% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.99% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.76% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.47% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.75% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.30% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.90% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.29% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.04% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.43% | 93.40% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 84.09% | 99.18% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.07% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.22% | 90.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.41% | 89.05% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 81.83% | 91.65% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 81.83% | 93.89% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.70% | 85.11% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.15% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.16% | 99.15% |
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.
| Plectranthus barbatus |
| Salvia przewalskii |
| Sesamum indicum |
| PubChem | 627133 |
| LOTUS | LTS0110155 |
| wikiData | Q105033979 |