RA-Xii
Internal ID | 15297d06-590a-4eb5-acdd-66ff62dc6197 |
Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
IUPAC Name | 10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-24-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone |
SMILES (Canonical) | CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C2CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC(C(=O)N1)N(C2=O)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)CC6=CC=C(C=C6)OC)C)C |
SMILES (Isomeric) | CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C2CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC(C(=O)N1)N(C2=O)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)CC6=CC=C(C=C6)OC)C)C |
InChI | InChI=1S/C46H58N6O14/c1-23-40(57)48-24(2)43(60)50(4)31(18-26-8-13-29(63-7)14-9-26)42(59)49-25(3)44(61)52(6)33-19-27-10-15-30(16-11-27)64-35-21-28(20-32(41(58)47-23)51(5)45(33)62)12-17-34(35)65-46-39(56)38(55)37(54)36(22-53)66-46/h8-17,21,23-25,31-33,36-39,46,53-56H,18-20,22H2,1-7H3,(H,47,58)(H,48,57)(H,49,59) |
InChI Key | UYXWCWJRGWWTGU-UHFFFAOYSA-N |
Popularity | 14 references in papers |
Molecular Formula | C46H58N6O14 |
Molecular Weight | 919.00 g/mol |
Exact Mass | 918.40110055 g/mol |
Topological Polar Surface Area (TPSA) | 266.00 Ų |
XlogP | 1.20 |
143343-98-0 |
NCGC00384826-01_C46H58N6O14_(1S,4R,7S,10S,13S,16S)-10-(4-Methoxybenzyl)-4,7,9,13,15,29-hexamethyl-2,5,8,11,14,30-hexaoxo-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2~18,21~.1~23,27~]tritriaconta-18,20,23(31),24,26,32-hexaen-24-yl beta-D-glucopyranoside |
AKOS040735827 |
NCGC00384826-01 |
10-[(4-Methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-24-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone |
![2D Structure of RA-Xii 2D Structure of RA-Xii](https://plantaedb.com/storage/docs/compounds/2023/11/ra-xii.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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.46% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 99.13% | 98.95% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.80% | 91.11% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.80% | 85.14% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.84% | 95.56% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.96% | 94.45% |
CHEMBL4208 | P20618 | Proteasome component C5 | 94.67% | 90.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.09% | 94.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.24% | 86.33% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.03% | 99.17% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.61% | 95.89% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.41% | 97.09% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.57% | 95.89% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.67% | 96.00% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.57% | 93.00% |
CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 86.30% | 97.33% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.58% | 96.77% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.48% | 89.00% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.10% | 95.50% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.04% | 90.71% |
CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.55% | 95.53% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.79% | 86.92% |
CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.00% | 97.05% |
CHEMBL2535 | P11166 | Glucose transporter | 80.86% | 98.75% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.67% | 97.25% |
CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.26% | 82.38% |
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.
Rubia cordifolia |
Rubia yunnanensis |
PubChem | 14033269 |
LOTUS | LTS0018241 |
wikiData | Q105282031 |