Fomecin A

Details

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Internal ID 15975221-7f5e-4429-985f-8bc52b295d1d
Taxonomy Benzenoids > Phenols > Benzenetriols and derivatives > Pyrogallols and derivatives
IUPAC Name 2,3,4-trihydroxy-6-(hydroxymethyl)benzaldehyde
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C8H8O5/c9-2-4-1-6(11)8(13)7(12)5(4)3-10/h1,3,9,11-13H,2H2
InChI Key MGMUFSXXHCQPGA-UHFFFAOYSA-N
Popularity 7 references in papers

Physical and Chemical Properties

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Molecular Formula C8H8O5
Molecular Weight 184.15 g/mol
Exact Mass 184.03717335 g/mol
Topological Polar Surface Area (TPSA) 98.00 Ų
XlogP 0.00

Synonyms

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2,3,4-Trihydroxy-6-(hydroxymethyl)benzaldehyde
Fomecin
1403-56-1
Benzaldehyde, 2,3,4-trihydroxy-6-(hydroxymethyl)-
1E2L0W6KK8
NSC-73231
FOMECIN-A
NSC 73231
BRN 2693556
UNII-1E2L0W6KK8
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Fomecin 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
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 98.57% 98.11%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.81% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.18% 95.56%
CHEMBL3401 O75469 Pregnane X receptor 88.85% 94.73%
CHEMBL3194 P02766 Transthyretin 86.06% 90.71%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 85.85% 91.71%
CHEMBL2581 P07339 Cathepsin D 84.25% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 80.04% 96.09%

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 14964
LOTUS LTS0120865
wikiData Q83029670