(R)-1,3,6,8-tetrahydroxy-2-(1-hydroxyethyl)anthracene-9,10-dione

Details

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Internal ID 2b494261-e119-4918-8fbe-e781b152d419
Taxonomy Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones
IUPAC Name 1,3,6,8-tetrahydroxy-2-[(1R)-1-hydroxyethyl]anthracene-9,10-dione
SMILES (Canonical) CC(C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)O)O)O
SMILES (Isomeric) C[C@H](C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)O)O)O
InChI InChI=1S/C16H12O7/c1-5(17)11-10(20)4-8-13(15(11)22)16(23)12-7(14(8)21)2-6(18)3-9(12)19/h2-5,17-20,22H,1H3/t5-/m1/s1
InChI Key UAXWQASUOFZAIW-RXMQYKEDSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C16H12O7
Molecular Weight 316.26 g/mol
Exact Mass 316.05830272 g/mol
Topological Polar Surface Area (TPSA) 135.00 Ų
XlogP 2.10

Synonyms

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BDBM50269146
(+)-1,3,6,8-Tetrahydroxy-2-[(1R)-1-hydro
(R)-1,3,6,8-tetrahydroxy-2-(1-hydroxyethyl)anthracene-9,10-dione

2D Structure

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2D Structure of (R)-1,3,6,8-tetrahydroxy-2-(1-hydroxyethyl)anthracene-9,10-dione

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 98.55% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.52% 91.11%
CHEMBL1806 P11388 DNA topoisomerase II alpha 93.17% 89.00%
CHEMBL4208 P20618 Proteasome component C5 91.99% 90.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 91.39% 99.15%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 91.14% 90.71%
CHEMBL1929 P47989 Xanthine dehydrogenase 90.98% 96.12%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.46% 95.56%
CHEMBL3830 Q2M2I8 Adaptor-associated kinase 90.05% 83.10%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.97% 96.09%
CHEMBL1951 P21397 Monoamine oxidase A 88.44% 91.49%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.10% 99.23%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 85.92% 96.38%
CHEMBL3401 O75469 Pregnane X receptor 85.34% 94.73%
CHEMBL2535 P11166 Glucose transporter 84.59% 98.75%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 80.69% 96.21%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 80.54% 85.14%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 10041429
LOTUS LTS0189597
wikiData Q77496919