1,4-Dihydroxy-2-naphthoic acid

Details

• Internal ID: 0b037c62-40fa-4c88-83e9-7dfe6f3f889d
• Taxonomy: Benzenoids > Naphthalenes > Naphthalenecarboxylic acids and derivatives > Naphthalenecarboxylic acids
• IUPAC Name: 1,4-dihydroxynaphthalene-2-carboxylic acid
• SMILES (Canonical): C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)O)O
• SMILES (Isomeric): C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)O)O
• InChI: InChI=1S/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15)
• InChI Key: VOJUXHHACRXLTD-UHFFFAOYSA-N
• Popularity: 141 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₈O₄
• Molecular Weight: 204.18 g/mol
• Exact Mass: 204.04225873 g/mol
• Topological Polar Surface Area (TPSA): 77.80 Ų
• XlogP: 2.50

Synonyms

• 31519-22-9
• 1,4-Dihydroxynaphthalene-2-carboxylic acid
• 1,4-Dihydroxy-2-naphthalenecarboxylic acid
• 1U77MR5Q7O
• DTXSID0037730
• DTXCID8017730
• CHEBI:18094
• RefChem:906982
• 250-674-7
• 2-Naphthalenecarboxylic acid, 1,4-dihydroxy-
• MFCD00010370
• 1,4-Dihydroxy-2-naphtoic acid
• UNII-1U77MR5Q7O
• 1,4-Dihydroxy-2-naphthoicAcid
• EINECS 250-674-7
• CBMicro_022187
• bmse000688
• C03657
• Oprea1_682770
• SCHEMBL317180
• orb2564247
• CHEMBL1232286
• VOJUXHHACRXLTD-UHFFFAOYSA-
• 2-Naphthoic acid, 1,4-dihydroxy
• HMS3741M11
• STR05294
• 2-Naphthoic acid, 1,4-dihydroxy-
• Tox21_301655
• SBB037946
• STL513558
• AKOS000120806
• FD37009
• HY-W014701
• 1,4-Dihydroxy-2-carboxy naphthoic acid
• 1,4-Dihydroxy-2-naphthoic acid, 97%
• NCGC00164120-01
• NCGC00255467-01
• AC-23628
• PD129222
• ST086489
• SY014338
• CAS-31519-22-9
• DB-048057
• D2296
• NS00015203
• EN300-21490
• H11275
• AB00443880-02
• F219195
• Q27102818
• 1F3E7FB2-5745-4C2A-A942-D4AD78D5E1F0
• Z104500068
• InChI=1/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15)

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

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	97.75%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.50%	95.56%
CHEMBL1951	P21397	Monoamine oxidase A	86.75%	91.49%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	86.13%	94.62%
CHEMBL2535	P11166	Glucose transporter	85.02%	98.75%
CHEMBL2581	P07339	Cathepsin D	84.35%	98.95%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	82.57%	99.15%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	82.05%	95.50%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 671
• LOTUS: LTS0102772
• wikiData: Q27102818