(5R,6R,7R)-7-(3,4-dihydroxyphenyl)-6,11-dihydroxy-10-[(1R,5R,6R,7S,13S,21R)-6,9,17,19,21-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-7-yl]-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(13),9,11-trien-3-one
Internal ID | 800f7dce-7c39-42b5-a750-caf0b3d4c986 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
IUPAC Name | (5R,6R,7R)-7-(3,4-dihydroxyphenyl)-6,11-dihydroxy-10-[(1R,5R,6R,7S,13S,21R)-6,9,17,19,21-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-7-yl]-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(13),9,11-trien-3-one |
SMILES (Canonical) | C1C2C(C(OC3=C(C(=CC(=C23)OC1=O)O)C4C(C(OC5=C4C(=CC6=C5C7C(C(O6)(OC8=CC(=CC(=C78)O)O)C9=CC=C(C=C9)O)O)O)C1=CC=C(C=C1)O)O)C1=CC(=C(C=C1)O)O)O |
SMILES (Isomeric) | C1[C@H]2[C@H]([C@H](OC3=C(C(=CC(=C23)OC1=O)O)[C@@H]4[C@H]([C@H](OC5=C4C(=CC6=C5[C@@H]7[C@H]([C@](O6)(OC8=CC(=CC(=C78)O)O)C9=CC=C(C=C9)O)O)O)C1=CC=C(C=C1)O)O)C1=CC(=C(C=C1)O)O)O |
InChI | InChI=1S/C47H36O17/c48-20-6-1-17(2-7-20)42-41(58)38(35-27(54)15-29-33-23(14-32(56)60-29)40(57)43(62-44(33)35)18-3-10-24(51)25(52)11-18)36-28(55)16-31-37(45(36)61-42)39-34-26(53)12-22(50)13-30(34)63-47(64-31,46(39)59)19-4-8-21(49)9-5-19/h1-13,15-16,23,38-43,46,48-55,57-59H,14H2/t23-,38+,39-,40-,41-,42-,43-,46-,47+/m1/s1 |
InChI Key | PGZNWCVHENRBJD-LXBYRAOQSA-N |
Popularity | 0 references in papers |
Molecular Formula | C47H36O17 |
Molecular Weight | 872.80 g/mol |
Exact Mass | 872.19524968 g/mol |
Topological Polar Surface Area (TPSA) | 286.00 Ų |
XlogP | 3.70 |
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 | 99.71% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.60% | 97.09% |
CHEMBL2581 | P07339 | Cathepsin D | 92.15% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.02% | 89.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.63% | 99.23% |
CHEMBL236 | P41143 | Delta opioid receptor | 89.79% | 99.35% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.74% | 95.56% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.48% | 96.09% |
CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 87.62% | 90.93% |
CHEMBL2535 | P11166 | Glucose transporter | 86.69% | 98.75% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.14% | 99.15% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.61% | 93.04% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 85.46% | 91.49% |
CHEMBL4208 | P20618 | Proteasome component C5 | 84.95% | 90.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.68% | 95.89% |
CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 80.39% | 95.48% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.19% | 100.00% |
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.
Arachniodes carvifolia |
PubChem | 163102358 |
LOTUS | LTS0260476 |
wikiData | Q105208817 |