(2,3-diacetyloxy-5-hydroxy-2a,7a-dimethyl-5-propan-2-yl-2,3,4,5a,6,7-hexahydro-1aH-azuleno[6,7-b]oxiren-6-yl) 3,4-dimethoxybenzoate
| Internal ID | 7b0f6cc9-053f-4d1f-a708-3c3b2840e706 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Methoxybenzoic acids and derivatives > P-methoxybenzoic acids and derivatives |
| IUPAC Name | (2,3-diacetyloxy-5-hydroxy-2a,7a-dimethyl-5-propan-2-yl-2,3,4,5a,6,7-hexahydro-1aH-azuleno[6,7-b]oxiren-6-yl) 3,4-dimethoxybenzoate |
| SMILES (Canonical) | CC(C)C1(CC(C2(C1C(CC3(C(C2OC(=O)C)O3)C)OC(=O)C4=CC(=C(C=C4)OC)OC)C)OC(=O)C)O |
| SMILES (Isomeric) | CC(C)C1(CC(C2(C1C(CC3(C(C2OC(=O)C)O3)C)OC(=O)C4=CC(=C(C=C4)OC)OC)C)OC(=O)C)O |
| InChI | InChI=1S/C28H38O10/c1-14(2)28(32)13-21(35-15(3)29)27(6)22(28)20(12-26(5)23(38-26)24(27)36-16(4)30)37-25(31)17-9-10-18(33-7)19(11-17)34-8/h9-11,14,20-24,32H,12-13H2,1-8H3 |
| InChI Key | APNKRJCAWWCGNV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H38O10 |
| Molecular Weight | 534.60 g/mol |
| Exact Mass | 534.24649740 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of (2,3-diacetyloxy-5-hydroxy-2a,7a-dimethyl-5-propan-2-yl-2,3,4,5a,6,7-hexahydro-1aH-azuleno[6,7-b]oxiren-6-yl) 3,4-dimethoxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/ff4303d0-8539-11ee-bb76-050ccd3587a2.jpg "2D Structure of (2,3-diacetyloxy-5-hydroxy-2a,7a-dimethyl-5-propan-2-yl-2,3,4,5a,6,7-hexahydro-1aH-azuleno[6,7-b]oxiren-6-yl) 3,4-dimethoxybenzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.35% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.95% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.26% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.97% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.46% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.81% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 90.25% | 97.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.11% | 91.19% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.80% | 90.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.73% | 97.21% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.09% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.74% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.97% | 96.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.57% | 91.07% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.08% | 97.28% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.95% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.68% | 99.17% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 80.86% | 92.98% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.81% | 100.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.51% | 89.62% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.49% | 89.50% |
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.
| Ferula lapidosa |
| Ferula ovina |
| PubChem | 4371509 |
| LOTUS | LTS0063123 |
| wikiData | Q104916424 |