10-Amino-3-methoxyphenanthren-4-ol

Details

• Internal ID: 530a679a-08ee-4a9a-b575-f69143fa5838
• Taxonomy: Benzenoids > Phenanthrenes and derivatives > Phenanthrols
• IUPAC Name: 10-amino-3-methoxyphenanthren-4-ol
• SMILES (Canonical): COC1=C(C2=C(C=C1)C(=CC3=CC=CC=C32)N)O
• SMILES (Isomeric): COC1=C(C2=C(C=C1)C(=CC3=CC=CC=C32)N)O
• InChI: InChI=1S/C15H13NO2/c1-18-13-7-6-11-12(16)8-9-4-2-3-5-10(9)14(11)15(13)17/h2-8,17H,16H2,1H3
• InChI Key: IQVBBWIJQKORTD-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₃NO₂
• Molecular Weight: 239.27 g/mol
• Exact Mass: 239.094628657 g/mol
• Topological Polar Surface Area (TPSA): 55.50 Ų
• XlogP: 3.40

Synonyms

There are no found synonyms.

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	98.93%	91.11%
CHEMBL1255126	O15151	Protein Mdm4	92.45%	90.20%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.00%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.78%	96.09%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	89.60%	94.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.46%	86.33%
CHEMBL2535	P11166	Glucose transporter	86.40%	98.75%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	83.82%	95.50%
CHEMBL1287628	Q9Y5S8	NADPH oxidase 1	83.32%	95.48%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	83.23%	89.62%
CHEMBL240	Q12809	HERG	80.49%	89.76%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.02%	99.17%

Plants that contains it

• Piper wightii

Cross-Links

• PubChem: 163194345
• LOTUS: LTS0173575
• wikiData: Q105118614