Skyrin
Internal ID | 45cfbdf9-3fb6-4781-8665-0fdbaf3fb0b3 |
Taxonomy | Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones |
IUPAC Name | 2,4,5-trihydroxy-7-methyl-1-(2,4,5-trihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione |
SMILES (Canonical) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C(=C3C2=O)C4=C5C(=C(C=C4O)O)C(=O)C6=C(C5=O)C=C(C=C6O)C)O)O |
SMILES (Isomeric) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C(=C3C2=O)C4=C5C(=C(C=C4O)O)C(=O)C6=C(C5=O)C=C(C=C6O)C)O)O |
InChI | InChI=1S/C30H18O10/c1-9-3-11-19(13(31)5-9)29(39)23-17(35)7-15(33)21(25(23)27(11)37)22-16(34)8-18(36)24-26(22)28(38)12-4-10(2)6-14(32)20(12)30(24)40/h3-8,31-36H,1-2H3 |
InChI Key | MQSXZQXHIJMNAF-UHFFFAOYSA-N |
Popularity | 112 references in papers |
Molecular Formula | C30H18O10 |
Molecular Weight | 538.50 g/mol |
Exact Mass | 538.08999677 g/mol |
Topological Polar Surface Area (TPSA) | 190.00 Ų |
XlogP | 5.10 |
602-06-2 |
Endothianin |
Rhodophyscin |
SKIRIN |
CCRIS 4401 |
2,4,5-trihydroxy-7-methyl-1-(2,4,5-trihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione |
(+)-S-Skyrin |
UNII-VLA1F42GXP |
VLA1F42GXP |
NSC 361128 |
There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of Skyrin 2D Structure of Skyrin](https://plantaedb.com/storage/docs/compounds/2023/07/skyrin.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 |
---|---|---|---|---|
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.24% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 93.75% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.12% | 89.00% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 90.29% | 91.49% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.28% | 99.23% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.94% | 91.11% |
CHEMBL3401 | O75469 | Pregnane X receptor | 85.30% | 94.73% |
CHEMBL4208 | P20618 | Proteasome component C5 | 85.16% | 90.00% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.57% | 99.15% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.40% | 90.71% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.28% | 93.03% |
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.
Crotalaria sericea |
Hypericum perforatum |
Ventilago leiocarpa |
PubChem | 73071 |
NPASS | NPC37709 |
ChEMBL | CHEMBL472851 |
LOTUS | LTS0063568 |
wikiData | Q27291883 |