9-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-10-hydroxy-7-methoxy-3-methylbenzo[g]isochromen-1-one
Internal ID | d381d392-8d7d-4842-8097-d5e1aca6f15e |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
IUPAC Name | 9-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-10-hydroxy-7-methoxy-3-methylbenzo[g]isochromen-1-one |
SMILES (Canonical) | CC1=CC2=CC3=CC(=CC(=C3C(=C2C(=O)O1)O)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)OC |
SMILES (Isomeric) | CC1=CC2=CC3=CC(=CC(=C3C(=C2C(=O)O1)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O)OC |
InChI | InChI=1S/C33H42O20/c1-10-3-11-4-12-5-13(46-2)6-14(18(12)23(39)19(11)30(45)48-10)49-32-26(42)25(41)21(37)17(52-32)9-47-31-28(44)29(22(38)16(8-35)50-31)53-33-27(43)24(40)20(36)15(7-34)51-33/h3-6,15-17,20-22,24-29,31-44H,7-9H2,1-2H3/t15-,16-,17-,20-,21-,22-,24+,25+,26-,27-,28-,29+,31-,32-,33+/m1/s1 |
InChI Key | ZSJPHEBFJPZFFH-VFTFBOENSA-N |
Popularity | 0 references in papers |
Molecular Formula | C33H42O20 |
Molecular Weight | 758.70 g/mol |
Exact Mass | 758.22694372 g/mol |
Topological Polar Surface Area (TPSA) | 313.00 Ų |
XlogP | -2.20 |
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 | 99.22% | 91.11% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.18% | 94.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.08% | 86.33% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.78% | 96.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.19% | 95.56% |
CHEMBL3401 | O75469 | Pregnane X receptor | 90.88% | 94.73% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 90.86% | 97.36% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.55% | 99.17% |
CHEMBL2581 | P07339 | Cathepsin D | 87.88% | 98.95% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.24% | 85.14% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.20% | 99.15% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.61% | 96.95% |
CHEMBL4581 | P52732 | Kinesin-like protein 1 | 84.58% | 93.18% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.97% | 89.00% |
CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 83.21% | 94.42% |
CHEMBL4208 | P20618 | Proteasome component C5 | 83.10% | 90.00% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.37% | 86.92% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.04% | 96.21% |
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.
Senna tora |
PubChem | 10533146 |
LOTUS | LTS0240871 |
wikiData | Q105382552 |