(4S,12R,14S,16S)-4-(4-hydroxyphenyl)-14-[2-(4-hydroxyphenyl)ethyl]-8-methoxy-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1,7,9-trien-6-one
Internal ID | b8ab36ec-57b5-4a45-b6c5-5d76f7e41fdb |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 5-O-methylated flavonoids |
IUPAC Name | (4S,12R,14S,16S)-4-(4-hydroxyphenyl)-14-[2-(4-hydroxyphenyl)ethyl]-8-methoxy-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1,7,9-trien-6-one |
SMILES (Canonical) | COC1=C2C(=O)CC(OC2=C3C4CC(OC4OC3=C1)CCC5=CC=C(C=C5)O)C6=CC=C(C=C6)O |
SMILES (Isomeric) | COC1=C2C(=O)C[C@H](OC2=C3[C@@H]4C[C@@H](O[C@@H]4OC3=C1)CCC5=CC=C(C=C5)O)C6=CC=C(C=C6)O |
InChI | InChI=1S/C28H26O7/c1-32-23-14-24-25(27-26(23)21(31)13-22(34-27)16-5-9-18(30)10-6-16)20-12-19(33-28(20)35-24)11-4-15-2-7-17(29)8-3-15/h2-3,5-10,14,19-20,22,28-30H,4,11-13H2,1H3/t19-,20-,22-,28+/m0/s1 |
InChI Key | JKOQQSVLZXLHME-KFNKAPHNSA-N |
Popularity | 0 references in papers |
Molecular Formula | C28H26O7 |
Molecular Weight | 474.50 g/mol |
Exact Mass | 474.16785316 g/mol |
Topological Polar Surface Area (TPSA) | 94.40 Ų |
XlogP | 4.50 |
There are no found synonyms. |
![2D Structure of (4S,12R,14S,16S)-4-(4-hydroxyphenyl)-14-[2-(4-hydroxyphenyl)ethyl]-8-methoxy-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1,7,9-trien-6-one 2D Structure of (4S,12R,14S,16S)-4-(4-hydroxyphenyl)-14-[2-(4-hydroxyphenyl)ethyl]-8-methoxy-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1,7,9-trien-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/591ed440-8638-11ee-aa9b-ddfbe3414345.jpg)
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 | 98.31% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.21% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.36% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 95.78% | 98.95% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.68% | 97.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.33% | 86.33% |
CHEMBL4208 | P20618 | Proteasome component C5 | 92.21% | 90.00% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.14% | 96.95% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.28% | 94.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.08% | 95.89% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.88% | 99.17% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.01% | 85.14% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.02% | 95.89% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.06% | 95.56% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.31% | 97.21% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.25% | 86.92% |
CHEMBL2535 | P11166 | Glucose transporter | 86.22% | 98.75% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.36% | 89.00% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.23% | 90.71% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.13% | 100.00% |
CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.41% | 82.38% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.51% | 92.62% |
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.
Alpinia roxburghii |
PubChem | 10695850 |
LOTUS | LTS0169503 |
wikiData | Q105130388 |