[4,5-dihydroxy-2-[(7-hydroxy-4,8,11b-trimethyl-9-oxo-2,3,4a,5,6,7,10a,11-octahydro-1H-naphtho[2,1-f][1]benzofuran-4-yl)methoxy]-6-(hydroxymethyl)oxan-3-yl] 4-hydroxy-3,5-dimethoxybenzoate
Internal ID | 096ed0ae-c010-4d19-8c31-ed3da92a0be4 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
IUPAC Name | [4,5-dihydroxy-2-[(7-hydroxy-4,8,11b-trimethyl-9-oxo-2,3,4a,5,6,7,10a,11-octahydro-1H-naphtho[2,1-f][1]benzofuran-4-yl)methoxy]-6-(hydroxymethyl)oxan-3-yl] 4-hydroxy-3,5-dimethoxybenzoate |
SMILES (Canonical) | CC1=C2C(CC3=C(C2O)CCC4C3(CCCC4(C)COC5C(C(C(C(O5)CO)O)O)OC(=O)C6=CC(=C(C(=C6)OC)O)OC)C)OC1=O |
SMILES (Isomeric) | CC1=C2C(CC3=C(C2O)CCC4C3(CCCC4(C)COC5C(C(C(C(O5)CO)O)O)OC(=O)C6=CC(=C(C(=C6)OC)O)OC)C)OC1=O |
InChI | InChI=1S/C35H46O13/c1-16-25-20(46-31(16)41)13-19-18(26(25)37)7-8-24-34(2,9-6-10-35(19,24)3)15-45-33-30(29(40)28(39)23(14-36)47-33)48-32(42)17-11-21(43-4)27(38)22(12-17)44-5/h11-12,20,23-24,26,28-30,33,36-40H,6-10,13-15H2,1-5H3 |
InChI Key | SKMXIFVDKPBRPB-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C35H46O13 |
Molecular Weight | 674.70 g/mol |
Exact Mass | 674.29384152 g/mol |
Topological Polar Surface Area (TPSA) | 191.00 Ų |
XlogP | 2.10 |
There are no found synonyms. |
![2D Structure of [4,5-dihydroxy-2-[(7-hydroxy-4,8,11b-trimethyl-9-oxo-2,3,4a,5,6,7,10a,11-octahydro-1H-naphtho[2,1-f][1]benzofuran-4-yl)methoxy]-6-(hydroxymethyl)oxan-3-yl] 4-hydroxy-3,5-dimethoxybenzoate 2D Structure of [4,5-dihydroxy-2-[(7-hydroxy-4,8,11b-trimethyl-9-oxo-2,3,4a,5,6,7,10a,11-octahydro-1H-naphtho[2,1-f][1]benzofuran-4-yl)methoxy]-6-(hydroxymethyl)oxan-3-yl] 4-hydroxy-3,5-dimethoxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/6579e6f0-83fb-11ee-8d6d-d99f5c5ff152.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 | 99.27% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 96.33% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.16% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.18% | 86.33% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.76% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.58% | 95.56% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.45% | 95.89% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.06% | 97.09% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 89.78% | 92.50% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.35% | 92.62% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.18% | 94.00% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.21% | 92.94% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.41% | 99.17% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.30% | 91.07% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.89% | 96.21% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.18% | 100.00% |
CHEMBL4208 | P20618 | Proteasome component C5 | 83.81% | 90.00% |
CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 83.38% | 97.33% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.70% | 99.23% |
CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.89% | 82.38% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.04% | 96.61% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 80.99% | 97.79% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.91% | 97.14% |
CHEMBL5028 | O14672 | ADAM10 | 80.83% | 97.50% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.70% | 95.50% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.66% | 91.19% |
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.
Phlogacanthus curviflorus |
PubChem | 72951060 |
LOTUS | LTS0029049 |
wikiData | Q105254928 |