Ochrocarpin D

Details

• Internal ID: 7247d646-a935-442b-a7db-93d2990e4854
• Taxonomy: Phenylpropanoids and polyketides > Neoflavonoids > Neoflavones
• IUPAC Name: 5-hydroxy-8-(2-methoxypropan-2-yl)-6-[(2S)-2-methylbutanoyl]-4-phenylfuro[2,3-h]chromen-2-one
• InChI: InChI=1S/C26H26O6/c1-6-14(2)22(28)21-23(29)20-16(15-10-8-7-9-11-15)13-19(27)32-24(20)17-12-18(31-25(17)21)26(3,4)30-5/h7-14,29H,6H2,1-5H3/t14-/m0/s1
• InChI Key: PSBCHGQXBPONOM-AWEZNQCLSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₆H₂₆O₆
• Molecular Weight: 434.50 g/mol
• Exact Mass: 434.17293854 g/mol
• Topological Polar Surface Area (TPSA): 86.00 Ų
• XlogP: 5.00

Synonyms

• CHEBI:66814
• 5-hydroxy-8-(1-methoxy-1-methylethyl)-6-(2-methyl-1-oxobutyl)-4-phenyl-2H-furo-[2',3':5,6]benzo[1,2-b]pyran-2-one
• 5-hydroxy-8-(2-methoxypropan-2-yl)-6-[(2S)-2-methylbutanoyl]-4-phenyl-2H-furo[2,3-h]chromen-2-one
• CHEMBL487416
• Q27135447

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	99.39%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.92%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	94.88%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.94%	95.56%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	89.74%	99.23%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	88.82%	95.50%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	87.72%	85.14%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	87.66%	94.00%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	87.33%	100.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.81%	99.17%
CHEMBL1806	P11388	DNA topoisomerase II alpha	86.50%	89.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	86.24%	99.15%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	84.88%	96.95%
CHEMBL3401	O75469	Pregnane X receptor	83.17%	94.73%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	80.94%	96.09%
CHEMBL1907	P15144	Aminopeptidase N	80.16%	93.31%

Plants that contains it

• Mammea punctata

Cross-Links

• PubChem: 44559858
• LOTUS: LTS0232959
• wikiData: Q27135447