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Oxyskyrin

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID 8ab00cbb-3da6-4315-b2ac-014eb60dc72b
Taxonomy Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones
IUPAC Name 2,4,5-trihydroxy-7-methyl-1-[2,4,5-trihydroxy-7-(hydroxymethyl)-9,10-dioxoanthracen-1-yl]anthracene-9,10-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C30H18O11/c1-9-2-11-19(13(32)3-9)29(40)23-17(36)6-15(34)21(25(23)27(11)38)22-16(35)7-18(37)24-26(22)28(39)12-4-10(8-31)5-14(33)20(12)30(24)41/h2-7,31-37H,8H2,1H3
InChI Key BTHHWOXILLICEL-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C30H18O11
Molecular Weight 554.50 g/mol
Exact Mass 554.08491139 g/mol
Topological Polar Surface Area (TPSA) 210.00 Ų
XlogP 3.90

Synonyms

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23310-12-5
Oxyskyrin, (S)-
DIL81J072H
UNII-DIL81J072H
(1,1'-Bianthracene)-9,9',10,10'-tetrone, 2,2',4,4',5,5'-hexahydroxy-7-(hydroxymethyl)-7'-methyl-, (1S)-
(1S)-2,2',4,4',5,5'-Hexahydroxy-7-(hydroxymethyl)-7'-methyl(1,1'-bianthracene)-9,9',10,10'-tetrone
2,4,5-trihydroxy-7-methyl-1-[2,4,5-trihydroxy-7-(hydroxymethyl)-9,10-dioxoanthracen-1-yl]anthracene-9,10-dione
2,2',4,4',5,5'-Hexahydroxy-7-(hydroxymethyl)-7'-methyl-1,1'-bi(9,10-anthraquinone)
AKOS040735263
Q27896792

2D Structure

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2D Structure of Oxyskyrin

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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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
CHEMBL2581 P07339 Cathepsin D 97.17% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.32% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.13% 96.09%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.29% 89.00%
CHEMBL3401 O75469 Pregnane X receptor 87.71% 94.73%
CHEMBL4208 P20618 Proteasome component C5 86.14% 90.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 85.59% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 83.97% 94.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.90% 90.71%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 81.21% 96.67%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 80.65% 99.15%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.33% 96.95%

Plants that contains it

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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.
There are no matching plants.

Cross-Links

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PubChem 9872365
LOTUS LTS0128419
wikiData Q27896792