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Biatriosporin A

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 34678649-170c-4735-be9c-b0851b7030d3
Taxonomy Benzenoids > Tetralins
IUPAC Name (2R,3R,4S)-4,8-dihydroxy-3-[(2S)-2-hydroxypropyl]-6-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H20O5/c1-7(16)4-10-8(2)14(18)13-11(15(10)19)5-9(20-3)6-12(13)17/h5-8,10,15-17,19H,4H2,1-3H3/t7-,8+,10+,15-/m0/s1
InChI Key FVAUGDAGHWFUOK-IFOSPTHLSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C15H20O5
Molecular Weight 280.32 g/mol
Exact Mass 280.13107373 g/mol
Topological Polar Surface Area (TPSA) 87.00 Ų
XlogP 1.70

Synonyms

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(2R,3R,4S)-4,8-dihydroxy-3-[(2S)-2-hydroxypropyl]-6-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one
(2R,3R,4S)-4,8-dihydroxy-3-((2S)-2-hydroxypropyl)-6-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one
RefChem:119620
CHEMBL3961862
CHEBI:227954

2D Structure

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2D Structure of Biatriosporin A

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
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 98.48% 85.14%
CHEMBL2581 P07339 Cathepsin D 97.50% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.72% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.85% 91.11%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 95.22% 99.15%
CHEMBL3060 Q9Y345 Glycine transporter 2 90.14% 99.17%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 89.37% 90.71%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 88.65% 95.89%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.45% 94.45%
CHEMBL4208 P20618 Proteasome component C5 87.85% 90.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.38% 95.56%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 87.13% 91.07%
CHEMBL2535 P11166 Glucose transporter 85.27% 98.75%

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 132523658
LOTUS LTS0128163
wikiData Q105002233