2,4-Dihydroxycinnamic acid

Details

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Internal ID c450209a-562a-4168-ae3a-962a384724f6
Taxonomy Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Hydroxycinnamic acids
IUPAC Name (E)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid
SMILES (Canonical) C1=CC(=C(C=C1O)O)C=CC(=O)O
SMILES (Isomeric) C1=CC(=C(C=C1O)O)/C=C/C(=O)O
InChI InChI=1S/C9H8O4/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
InChI Key HGEFWFBFQKWVMY-DUXPYHPUSA-N
Popularity 28 references in papers

Physical and Chemical Properties

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Molecular Formula C9H8O4
Molecular Weight 180.16 g/mol
Exact Mass 180.04225873 g/mol
Topological Polar Surface Area (TPSA) 77.80 Ų
XlogP 1.20

Synonyms

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614-86-8
3-(2,4-Dihydroxyphenyl)acrylic acid
Umbellic acid
(2E)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid
(E)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid
99699-42-0
2,4-DIHYDROXY-TRANS CINNAMIC ACID
trans-2,4-dihydroxycinnamic acid
U8G3LS2JEX
(E)-3-(2,4-dihydroxyphenyl)acrylic acid
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 2,4-Dihydroxycinnamic 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 96.99% 91.11%
CHEMBL3194 P02766 Transthyretin 95.58% 90.71%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.93% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.09% 86.33%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 85.33% 91.71%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.38% 89.00%
CHEMBL4208 P20618 Proteasome component C5 83.75% 90.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.78% 99.17%
CHEMBL2581 P07339 Cathepsin D 82.11% 98.95%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 81.70% 94.62%

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.
Dipteryx odorata

Cross-Links

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PubChem 446611
LOTUS LTS0263932
wikiData Q7881241