Wailupemycin D

Details

• Internal ID: f99eda3e-9460-4bc7-84d7-01063d4f4ee8
• Taxonomy: Benzenoids > Naphthalenes > Phenylnaphthalenes
• IUPAC Name: 6-[(1S,2R)-2,5-dihydroxy-4-oxo-2-phenyl-1,3-dihydronaphthalen-1-yl]-4-hydroxypyran-2-one
• InChI: InChI=1S/C21H16O6/c22-13-9-17(27-18(25)10-13)20-14-7-4-8-15(23)19(14)16(24)11-21(20,26)12-5-2-1-3-6-12/h1-10,20,22-23,26H,11H2/t20-,21+/m1/s1
• InChI Key: ANQCWAZGTFETKF-RTWAWAEBSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₁₆O₆
• Molecular Weight: 364.30 g/mol
• Exact Mass: 364.09468823 g/mol
• Topological Polar Surface Area (TPSA): 104.00 Ų
• XlogP: 2.20

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	99.51%	91.11%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	94.97%	94.62%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.35%	95.56%
CHEMBL2581	P07339	Cathepsin D	90.51%	98.95%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	89.58%	99.15%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.14%	94.45%
CHEMBL3192	Q9BY41	Histone deacetylase 8	88.92%	93.99%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	88.55%	99.23%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.60%	86.33%
CHEMBL216	P11229	Muscarinic acetylcholine receptor M1	85.71%	94.23%
CHEMBL1821	P08173	Muscarinic acetylcholine receptor M4	85.48%	94.08%
CHEMBL1806	P11388	DNA topoisomerase II alpha	85.22%	89.00%
CHEMBL1937	Q92769	Histone deacetylase 2	84.13%	94.75%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 101059401
• LOTUS: LTS0122868
• wikiData: Q77484145