2",3"-Dihydroamentoflavone

Details

• Internal ID: 8cc78ed9-fcc6-401a-aeb3-67c26fdba781
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids
• IUPAC Name: 2-[3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one
• SMILES (Canonical): C1C(OC2=C(C(=CC(=C2C1=O)O)O)C3=C(C=CC(=C3)C4=CC(=O)C5=C(C=C(C=C5O4)O)O)O)C6=CC=C(C=C6)O
• SMILES (Isomeric): C1C(OC2=C(C(=CC(=C2C1=O)O)O)C3=C(C=CC(=C3)C4=CC(=O)C5=C(C=C(C=C5O4)O)O)O)C6=CC=C(C=C6)O
• InChI: InChI=1S/C30H20O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-11,24,31-36H,12H2
• InChI Key: HEURLRKWAYKLCX-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₀H₂₀O₁₀
• Molecular Weight: 540.50 g/mol
• Exact Mass: 540.10564683 g/mol
• Topological Polar Surface Area (TPSA): 174.00 Ų
• XlogP: 4.80

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	98.66%	91.11%
CHEMBL242	Q92731	Estrogen receptor beta	98.11%	98.35%
CHEMBL1806	P11388	DNA topoisomerase II alpha	97.03%	89.00%
CHEMBL3194	P02766	Transthyretin	95.05%	90.71%
CHEMBL2581	P07339	Cathepsin D	94.98%	98.95%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	94.88%	99.15%
CHEMBL1929	P47989	Xanthine dehydrogenase	93.51%	96.12%
CHEMBL1978	P11511	Cytochrome P450 19A1	93.25%	91.76%
CHEMBL2553	Q15418	Ribosomal protein S6 kinase alpha 1	91.88%	85.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.69%	97.09%
CHEMBL1951	P21397	Monoamine oxidase A	89.65%	91.49%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.61%	95.56%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	89.31%	94.00%
CHEMBL5339	Q5NUL3	G-protein coupled receptor 120	89.09%	95.78%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	87.78%	90.71%
CHEMBL3038469	P24941	CDK2/Cyclin A	87.20%	91.38%
CHEMBL3438	Q05513	Protein kinase C zeta	86.95%	88.48%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	86.71%	96.21%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.73%	99.23%
CHEMBL4630	O14757	Serine/threonine-protein kinase Chk1	85.52%	97.03%
CHEMBL5284	Q96RR4	CaM-kinase kinase beta	84.31%	89.23%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.65%	94.45%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.25%	86.33%
CHEMBL4530	P00488	Coagulation factor XIII	81.70%	96.00%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	81.55%	93.40%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.85%	95.89%
CHEMBL4924	Q9UK32	Ribosomal protein S6 kinase alpha 6	80.81%	80.00%
CHEMBL3830	Q2M2I8	Adaptor-associated kinase	80.38%	83.10%
CHEMBL4940	P07195	L-lactate dehydrogenase B chain	80.10%	95.53%
CHEMBL2094127	P06493	Cyclin-dependent kinase 1/cyclin B	80.02%	96.00%

Plants that contains it

• Garcinia intermedia
• Garcinia livingstonei
• Garcinia pyrifera
• Garcinia subelliptica
• Garcinia xanthochymus
• Garcinia xipshuanbannaensis
• Schinus terebinthifolia
• Selaginella uncinata
• Viburnum jucundum

Cross-Links

• PubChem: 14160646
• LOTUS: LTS0219277
• wikiData: Q27104987