Calacorene oxide
| Internal ID | 1f3d4b49-2d66-4746-85d6-7a954f08e4f0 |
| Taxonomy | Benzenoids > Tetralins |
| IUPAC Name | 5,7b-dimethyl-3-propan-2-yl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene |
| SMILES (Canonical) | CC1=CC2=C(C=C1)C3(C(O3)CC2C(C)C)C |
| SMILES (Isomeric) | CC1=CC2=C(C=C1)C3(C(O3)CC2C(C)C)C |
| InChI | InChI=1S/C15H20O/c1-9(2)11-8-14-15(4,16-14)13-6-5-10(3)7-12(11)13/h5-7,9,11,14H,8H2,1-4H3 |
| InChI Key | RLWKXCFJGCFMEM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O |
| Molecular Weight | 216.32 g/mol |
| Exact Mass | 216.151415257 g/mol |
| Topological Polar Surface Area (TPSA) | 12.50 Ų |
| XlogP | 3.50 |
| RLWKXCFJGCFMEM-UHFFFAOYSA-N |
| 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 | 95.72% | 91.11% |
| CHEMBL240 | Q12809 | HERG | 95.00% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.72% | 96.09% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 89.22% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.92% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.62% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.08% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.92% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.99% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.94% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.90% | 93.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.47% | 89.62% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 83.95% | 93.18% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.15% | 90.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.92% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.85% | 100.00% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 80.38% | 92.50% |
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.
| Daniellia oliveri |
| PubChem | 529622 |
| LOTUS | LTS0216557 |
| wikiData | Q104375837 |