5-Hydroxy-6-methyl-3-methylidene-9-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-2-one
Internal ID | af5bb6cc-634f-455c-9d9e-5382e71ba5d1 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
IUPAC Name | 5-hydroxy-6-methyl-3-methylidene-9-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-2-one |
SMILES (Canonical) | CC1=C2CC=C(C2C3C(CC1O)C(=C)C(=O)O3)COC4C(C(C(C(O4)CO)O)O)O |
SMILES (Isomeric) | CC1=C2CC=C(C2C3C(CC1O)C(=C)C(=O)O3)COC4C(C(C(C(O4)CO)O)O)O |
InChI | InChI=1S/C21H28O9/c1-8-11-4-3-10(7-28-21-18(26)17(25)16(24)14(6-22)29-21)15(11)19-12(5-13(8)23)9(2)20(27)30-19/h3,12-19,21-26H,2,4-7H2,1H3 |
InChI Key | LXJZWQSTZYKXGA-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H28O9 |
Molecular Weight | 424.40 g/mol |
Exact Mass | 424.17333247 g/mol |
Topological Polar Surface Area (TPSA) | 146.00 Ų |
XlogP | -1.80 |
There are no found synonyms. |
![2D Structure of 5-Hydroxy-6-methyl-3-methylidene-9-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-2-one 2D Structure of 5-Hydroxy-6-methyl-3-methylidene-9-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/40019da0-8548-11ee-b8e2-09b4ab672ad8.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 | 96.57% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.08% | 97.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.56% | 95.56% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.35% | 96.61% |
CHEMBL3401 | O75469 | Pregnane X receptor | 91.99% | 94.73% |
CHEMBL2581 | P07339 | Cathepsin D | 90.93% | 98.95% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.51% | 94.00% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 87.50% | 97.36% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.04% | 86.33% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.37% | 96.09% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.89% | 99.17% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 82.60% | 97.79% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.50% | 89.00% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.03% | 97.25% |
CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.49% | 90.93% |
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.
Crepidiastrum lanceolatum |
PubChem | 73817481 |
LOTUS | LTS0207211 |
wikiData | Q105158892 |