Albanin E

Details

• Internal ID: 6ab984d9-b21d-4bb8-b65c-99dc5f11659e
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavones > 6-prenylated flavones
• IUPAC Name: 2-(2,4-dihydroxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxychromen-4-one
• SMILES (Canonical): CC(=CCCC(=CCC1=C(C2=C(C=C1O)OC(=CC2=O)C3=C(C=C(C=C3)O)O)O)C)C
• SMILES (Isomeric): CC(=CCC/C(=C/CC1=C(C2=C(C=C1O)OC(=CC2=O)C3=C(C=C(C=C3)O)O)O)/C)C
• InChI: InChI=1S/C25H26O6/c1-14(2)5-4-6-15(3)7-9-18-20(28)12-23-24(25(18)30)21(29)13-22(31-23)17-10-8-16(26)11-19(17)27/h5,7-8,10-13,26-28,30H,4,6,9H2,1-3H3/b15-7+
• InChI Key: CNACUOPDTBOMCZ-VIZOYTHASA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₅H₂₆O₆
• Molecular Weight: 422.50 g/mol
• Exact Mass: 422.17293854 g/mol
• Topological Polar Surface Area (TPSA): 107.00 Ų
• XlogP: 6.10

Synonyms

• 6-Geranylnorartocarpetin
• SCHEMBL24075639
• CHEBI:175385
• LMPK12110894
• 6-geranyl-2',4',5,7-tetrahydroxyflavone
• 2-(2,4-dihydroxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxychromen-4-one
• 2-(2,4-Dihydroxyphenyl)-6-(3,7-dimethyl-2,6-octadienyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, 9CI

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	99.55%	91.11%
CHEMBL2581	P07339	Cathepsin D	98.83%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	94.91%	94.73%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	94.83%	83.57%
CHEMBL1951	P21397	Monoamine oxidase A	94.73%	91.49%
CHEMBL1806	P11388	DNA topoisomerase II alpha	93.39%	89.00%
CHEMBL3194	P02766	Transthyretin	89.53%	90.71%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	89.40%	90.71%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.79%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.55%	86.33%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	87.29%	92.08%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	86.01%	96.95%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	85.62%	93.10%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.15%	99.17%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	82.64%	94.00%
CHEMBL4208	P20618	Proteasome component C5	81.96%	90.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	81.65%	85.14%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	81.45%	99.15%

Plants that contains it

• Brosimum lactescens
• Morus alba
• Morus nigra

Cross-Links

• PubChem: 21591197
• LOTUS: LTS0080186
• wikiData: Q104965496