Adenaflorine D

Details

• Internal ID: 1ba460e5-983a-43d4-ac9b-01c27a94e957
• Taxonomy: Organoheterocyclic compounds > Naphthopyrans
• IUPAC Name: 1-[8,10-dihydroxy-2,2-dimethyl-5-(3-methylbut-2-enoxy)-7-(3-methylbut-2-enyl)benzo[h]chromen-9-yl]ethanone
• InChI: InChI=1S/C27H32O5/c1-15(2)8-9-18-20-14-21(31-13-11-16(3)4)19-10-12-27(6,7)32-26(19)23(20)25(30)22(17(5)28)24(18)29/h8,10-12,14,29-30H,9,13H2,1-7H3
• InChI Key: HTWXIQRLVLRJGN-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₇H₃₂O₅
• Molecular Weight: 436.50 g/mol
• Exact Mass: 436.22497412 g/mol
• Topological Polar Surface Area (TPSA): 76.00 Ų
• XlogP: 7.00

Synonyms

• CHEMBL516531

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	99.34%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	98.48%	94.45%
CHEMBL3401	O75469	Pregnane X receptor	94.44%	94.73%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.99%	96.09%
CHEMBL1806	P11388	DNA topoisomerase II alpha	93.04%	89.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.67%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.47%	86.33%
CHEMBL4208	P20618	Proteasome component C5	87.93%	90.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	83.94%	94.00%
CHEMBL2581	P07339	Cathepsin D	83.82%	98.95%
CHEMBL2413	P32246	C-C chemokine receptor type 1	83.20%	89.50%
CHEMBL1951	P21397	Monoamine oxidase A	82.31%	91.49%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	81.41%	85.14%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	80.81%	89.34%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	80.09%	96.00%

Plants that contains it

• Adenaria floribunda

Cross-Links

• PubChem: 10433170
• LOTUS: LTS0102894
• wikiData: Q105033666