Hydroxymethylanserinone B

Details

• Internal ID: 77ccfd63-6fd9-42f9-8b97-aa0ff98ae9df
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Benzoquinones > P-benzoquinones
• IUPAC Name: 2-(hydroxymethyl)-5-(2-hydroxypropyl)-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione
• InChI: InChI=1S/C12H16O5/c1-6(14)4-8-7(2)10(15)9(5-13)12(17-3)11(8)16/h6,13-14H,4-5H2,1-3H3
• InChI Key: HIQLTIKZYHQJCA-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₆O₅
• Molecular Weight: 240.25 g/mol
• Exact Mass: 240.09977361 g/mol
• Topological Polar Surface Area (TPSA): 83.80 Ų
• XlogP: 0.30

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
CHEMBL2581	P07339	Cathepsin D	96.88%	98.95%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	94.18%	85.14%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.99%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.58%	96.09%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	83.26%	96.00%
CHEMBL3401	O75469	Pregnane X receptor	83.19%	94.73%
CHEMBL1907	P15144	Aminopeptidase N	81.63%	93.31%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	81.45%	97.14%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 21777485
• LOTUS: LTS0075254
• wikiData: Q77381327