1,5-Dihydroxynaphthalene

Details

• Internal ID: 1b1bc604-dbb7-470b-b6c3-4d9beaffc836
• Taxonomy: Benzenoids > Naphthalenes > Naphthols and derivatives
• IUPAC Name: naphthalene-1,5-diol
• SMILES (Canonical): C1=CC2=C(C=CC=C2O)C(=C1)O
• SMILES (Isomeric): C1=CC2=C(C=CC=C2O)C(=C1)O
• InChI: InChI=1S/C10H8O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6,11-12H
• InChI Key: BOKGTLAJQHTOKE-UHFFFAOYSA-N
• Popularity: 305 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₈O₂
• Molecular Weight: 160.17 g/mol
• Exact Mass: 160.052429494 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 1.80

Synonyms

• naphthalene-1,5-diol
• 83-56-7
• 1,5-Naphthalenediol
• 1,5-Dihydroxy naphthalene
• Durafur Developer E
• Oxidation Base
• 1,5-Dihydroxynapthalene
• CI 76625
• C.I. 76625
• 1,5-dihydroxynaphtalene
• MFCD00003980
• P25HC23VH6
• DTXSID2052574
• NSC-7202
• NSC 7202
• EINECS 201-487-4
• BRN 2044951
• UNII-P25HC23VH6
• AI3-16636
• 1,5-Naphthalindiol
• 1.5-naphthalenediol
• 1-Hydroxy-5-naphthol
• 1,5-dihydroxy-naphthalene
• EC 201-487-4
• 1,5-Dihydroxy naphthalene;
• SCHEMBL28327
• 4-06-00-06554 (Beilstein Handbook Reference)
• BIDD:GT0202
• CHEMBL204658
• 1,5-NAPHTHOHYDROQUINONE
• 1,5-DIHYDROXYNAPHTHALINE
• DTXCID9031147
• 1,5-Dihydroxynaphthalene, 97%
• BDBM36287
• NSC7202
• 1,5-NAPHTHALENEDIOL [INCI]
• Tox21_303746
• AKOS005287408
• CAS-83-56-7
• NCGC00357051-01
• AC-11727
• AS-12844
• CS-0015800
• D0590
• FT-0606961
• EN300-52581
• A19217
• D72512
• naphthalene-1,5-diol;1,5-Dihydroxynaphthalene
• W-104138
• Q19842073
• F0001-2128
• Z276600344
• InChI=1/C10H8O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6,11-12
• 1,5-Dihydroxynaphthaline; 1,5-Naphthohydroquinone; C.I. 76625; Durafur Developer E; NSC 7202; Oxidation Base

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
CHEMBL1951	P21397	Monoamine oxidase A	95.97%	91.49%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.38%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.63%	95.56%
CHEMBL3192	Q9BY41	Histone deacetylase 8	84.35%	93.99%
CHEMBL3401	O75469	Pregnane X receptor	82.74%	94.73%

Plants that contains it

• Sanicula lamelligera

Cross-Links

• PubChem: 6749
• LOTUS: LTS0129676
• wikiData: Q19842073