(6S,7aS)-7a-[(2S)-1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-yl]-6-prop-2-enyl-6,7-dihydro-1,3-benzodioxol-5-one
| Internal ID | d41361b2-60c6-4e0c-a0c8-edcf062699f7 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids |
| IUPAC Name | (6S,7aS)-7a-[(2S)-1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-yl]-6-prop-2-enyl-6,7-dihydro-1,3-benzodioxol-5-one |
| SMILES (Canonical) | CC(CC1=CC2=C(C(=C1)OC)OCO2)C34CC(C(=O)C=C3OCO4)CC=C |
| SMILES (Isomeric) | C[C@@H](CC1=CC2=C(C(=C1)OC)OCO2)[C@@]34C[C@@H](C(=O)C=C3OCO4)CC=C |
| InChI | InChI=1S/C21H24O6/c1-4-5-15-10-21(19(9-16(15)22)25-12-27-21)13(2)6-14-7-17(23-3)20-18(8-14)24-11-26-20/h4,7-9,13,15H,1,5-6,10-12H2,2-3H3/t13-,15-,21-/m0/s1 |
| InChI Key | WAOBWNFUAYREQD-YHQOMNDMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24O6 |
| Molecular Weight | 372.40 g/mol |
| Exact Mass | 372.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 63.20 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of (6S,7aS)-7a-[(2S)-1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-yl]-6-prop-2-enyl-6,7-dihydro-1,3-benzodioxol-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/a90eddf0-8537-11ee-b2c3-27b17701ffb2.jpg "2D Structure of (6S,7aS)-7a-[(2S)-1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-yl]-6-prop-2-enyl-6,7-dihydro-1,3-benzodioxol-5-one")
| 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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.65% | 96.77% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.28% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.13% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.31% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.00% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.52% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 94.90% | 92.62% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 91.31% | 89.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.48% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.26% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.11% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.97% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.97% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.88% | 85.14% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.48% | 94.80% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.80% | 85.30% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 83.09% | 90.20% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.97% | 95.71% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 81.74% | 97.50% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.72% | 96.61% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.70% | 89.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.26% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.16% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.84% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.51% | 93.40% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.33% | 90.00% |
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.
| Ocotea bullata |
| PubChem | 162845636 |
| LOTUS | LTS0259954 |
| wikiData | Q105300346 |