(7S,11R)-12-hydroxy-sydowic acid

Details

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Internal ID 6c0b98ee-4cb9-4411-838d-eb72dcf38509
Taxonomy Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives
IUPAC Name 3-hydroxy-4-[(2S,6R)-6-(hydroxymethyl)-2,6-dimethyloxan-2-yl]benzoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H20O5/c1-14(9-16)6-3-7-15(2,20-14)11-5-4-10(13(18)19)8-12(11)17/h4-5,8,16-17H,3,6-7,9H2,1-2H3,(H,18,19)/t14-,15+/m1/s1
InChI Key FGDIZZDZNVDSJE-CABCVRRESA-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 1.40

Synonyms

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RefChem:69769
CHEBI:228053
3-hydroxy-4-[(2S,6R)-6-(hydroxymethyl)-2,6-dimethyloxan-2-yl]benzoic acid

2D Structure

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2D Structure of (7S,11R)-12-hydroxy-sydowic acid

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.34% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 94.70% 86.33%
CHEMBL3192 Q9BY41 Histone deacetylase 8 91.35% 93.99%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.22% 95.56%
CHEMBL2581 P07339 Cathepsin D 88.92% 98.95%
CHEMBL4208 P20618 Proteasome component C5 84.82% 90.00%
CHEMBL3194 P02766 Transthyretin 83.20% 90.71%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.42% 99.17%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 80.68% 94.42%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.04% 90.71%

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 146682513
LOTUS LTS0061362
wikiData Q104994835