3-Hydroxymandelic acid

Details

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Internal ID 10ea9da4-826e-4626-9683-7022a818352b
Taxonomy Benzenoids > Phenols > 1-hydroxy-4-unsubstituted benzenoids
IUPAC Name 2-hydroxy-2-(3-hydroxyphenyl)acetic acid
SMILES (Canonical) C1=CC(=CC(=C1)O)C(C(=O)O)O
SMILES (Isomeric) C1=CC(=CC(=C1)O)C(C(=O)O)O
InChI InChI=1S/C8H8O4/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)
InChI Key OLSDAJRAVOVKLG-UHFFFAOYSA-N
Popularity 70 references in papers

Physical and Chemical Properties

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Molecular Formula C8H8O4
Molecular Weight 168.15 g/mol
Exact Mass 168.04225873 g/mol
Topological Polar Surface Area (TPSA) 77.80 Ų
XlogP -0.10

Synonyms

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17119-15-2
2-hydroxy-2-(3-hydroxyphenyl)acetic acid
m-Hydroxymandelic acid
3-Hydroxyphenylglycolic acid
Hydroxy(3-hydroxyphenyl)acetic acid
alpha,3-Dihydroxybenzeneacetic acid
meta-hydroxymandelic acid
Mandelic acid, m-hydroxy-
UNII-537K5QMU5F
537K5QMU5F
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 3-Hydroxymandelic 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
CHEMBL2581 P07339 Cathepsin D 94.65% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.52% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.41% 95.56%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 88.35% 99.15%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 87.28% 94.62%
CHEMBL1821 P08173 Muscarinic acetylcholine receptor M4 86.78% 94.08%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.64% 86.33%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.42% 96.09%
CHEMBL2535 P11166 Glucose transporter 86.07% 98.75%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.60% 99.17%
CHEMBL3359 P21462 Formyl peptide receptor 1 83.04% 93.56%
CHEMBL340 P08684 Cytochrome P450 3A4 81.39% 91.19%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.29% 94.45%

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.
Aloe africana
Aloe ferox
Aloe spicata
Aloe vera

Cross-Links

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PubChem 86957
NPASS NPC134135
LOTUS LTS0199272
wikiData Q10395567