6-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-4-methoxy-1,3-benzodioxole
Internal ID | a5363b07-be3e-4f8b-8d0a-954436d5b09b |
Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans |
IUPAC Name | 6-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-4-methoxy-1,3-benzodioxole |
SMILES (Canonical) | COC1=CC(=CC2=C1OCO2)C3C4COC(C4CO3)C5=CC6=C(C=C5)OCO6 |
SMILES (Isomeric) | COC1=CC(=CC2=C1OCO2)[C@@H]3[C@H]4CO[C@@H]([C@H]4CO3)C5=CC6=C(C=C5)OCO6 |
InChI | InChI=1S/C21H20O7/c1-22-17-5-12(6-18-21(17)28-10-27-18)20-14-8-23-19(13(14)7-24-20)11-2-3-15-16(4-11)26-9-25-15/h2-6,13-14,19-20H,7-10H2,1H3/t13-,14-,19+,20+/m0/s1 |
InChI Key | FHVJDYZMZCJFRZ-AFHBHXEDSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H20O7 |
Molecular Weight | 384.40 g/mol |
Exact Mass | 384.12090297 g/mol |
Topological Polar Surface Area (TPSA) | 64.60 Ų |
XlogP | 2.60 |
There are no found synonyms. |
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 | 96.32% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.89% | 96.09% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.87% | 92.62% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.19% | 97.09% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.73% | 96.77% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.49% | 89.62% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.15% | 95.56% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.40% | 94.45% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.02% | 86.33% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.68% | 97.14% |
CHEMBL3438 | Q05513 | Protein kinase C zeta | 87.25% | 88.48% |
CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 85.76% | 82.67% |
CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 83.80% | 85.49% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.59% | 96.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.16% | 85.14% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.99% | 94.00% |
CHEMBL2581 | P07339 | Cathepsin D | 82.30% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.20% | 89.00% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.15% | 94.80% |
CHEMBL2535 | P11166 | Glucose transporter | 81.43% | 98.75% |
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.
Artemisia arborescens |
Artemisia argentea |
Nectandra turbacensis |
PubChem | 102239702 |
LOTUS | LTS0068002 |
wikiData | Q104995474 |