Sanguiin H2
Internal ID | 76dcfbd0-b903-4214-a434-01cf7712167b |
Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
IUPAC Name | 3-[[7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32(37),33,35-dodecaen-36-yl]oxy]-4,5-dihydroxybenzoic acid |
SMILES (Canonical) | C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=C(C8=C(C(=C(C=C8C(=O)O1)O)O)O)C(=C(C(=C7OC9=CC(=CC(=C9O)O)C(=O)O)O)O)O |
SMILES (Isomeric) | C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=C(C8=C(C(=C(C=C8C(=O)O1)O)O)O)C(=C(C(=C7OC9=CC(=CC(=C9O)O)C(=O)O)O)O)O |
InChI | InChI=1S/C48H32O31/c49-14-2-10(3-15(50)27(14)55)43(68)79-48-41-40(77-45(70)12-6-18(53)29(57)32(60)22(12)23-13(46(71)78-41)7-19(54)30(58)33(23)61)38-21(75-48)8-73-44(69)11-5-17(52)31(59)34(62)24(11)25-26(47(72)76-38)39(37(65)36(64)35(25)63)74-20-4-9(42(66)67)1-16(51)28(20)56/h1-7,21,38,40-41,48-65H,8H2,(H,66,67) |
InChI Key | VQIUUNUVZNWSSC-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C48H32O31 |
Molecular Weight | 1104.70 g/mol |
Exact Mass | 1104.09275422 g/mol |
Topological Polar Surface Area (TPSA) | 531.00 Ų |
XlogP | 2.40 |
1-O-Galloyl-2,3-(S)-hexahydroxydiphenoyl-4,6-sanguisorboyl-a-D-glucopyranose |
![2D Structure of Sanguiin H2 2D Structure of Sanguiin H2](https://plantaedb.com/storage/docs/compounds/2023/11/sanguiin-h2.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 | 97.70% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 97.39% | 91.49% |
CHEMBL3194 | P02766 | Transthyretin | 95.47% | 90.71% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.25% | 86.33% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.57% | 99.15% |
CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 92.32% | 83.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.66% | 95.56% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.50% | 99.23% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 91.49% | 97.21% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.36% | 99.17% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 90.04% | 95.17% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.26% | 89.00% |
CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 88.03% | 94.42% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.68% | 94.00% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.61% | 96.95% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.23% | 91.19% |
CHEMBL2581 | P07339 | Cathepsin D | 83.65% | 98.95% |
CHEMBL220 | P22303 | Acetylcholinesterase | 83.31% | 94.45% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.77% | 95.89% |
CHEMBL4208 | P20618 | Proteasome component C5 | 82.54% | 90.00% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.84% | 96.21% |
CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.37% | 96.00% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.17% | 93.40% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.65% | 95.50% |
CHEMBL3401 | O75469 | Pregnane X receptor | 80.04% | 94.73% |
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.
Rosa henryi |
Rubus chingii var. suavissimus |
Rubus lambertianus |
PubChem | 74079453 |
LOTUS | LTS0230337 |
wikiData | Q105291283 |