Morindaparvin B

Details

• Internal ID: 209f47bc-5956-41dd-9ff9-65249667749c
• Taxonomy: Benzenoids > Anthracenes > Anthraquinones
• IUPAC Name: 1,5-dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione
• InChI: InChI=1S/C15H10O5/c16-6-7-4-5-9-12(13(7)18)15(20)8-2-1-3-10(17)11(8)14(9)19/h1-5,16-18H,6H2
• InChI Key: JFGAVUDZKYYKSF-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₀O₅
• Molecular Weight: 270.24 g/mol
• Exact Mass: 270.05282342 g/mol
• Topological Polar Surface Area (TPSA): 94.80 Ų
• XlogP: 2.40

Synonyms

• 1,5-dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione
• 94450-11-0
• 1,5-Dihydroxy-2-hydroxymethylanthraquinone
• DTXSID80241494
• 9,10-Anthracenedione, 1,5-dihydroxy-2-(hydroxymethyl)-
• RefChem:159718
• DTXCID80163985

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	98.59%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.19%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.60%	95.56%
CHEMBL1951	P21397	Monoamine oxidase A	91.60%	91.49%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	89.27%	99.15%
CHEMBL3401	O75469	Pregnane X receptor	87.59%	94.73%
CHEMBL1806	P11388	DNA topoisomerase II alpha	86.87%	89.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	86.23%	99.23%
CHEMBL2378	P30307	Dual specificity phosphatase Cdc25C	85.59%	96.67%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	82.62%	91.71%
CHEMBL226	P30542	Adenosine A1 receptor	81.38%	95.93%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	81.36%	96.09%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	80.57%	94.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 146825
• LOTUS: LTS0128446
• wikiData: Q83125007