Lucenin 2

Details

• Internal ID: f2ba19c5-691f-475a-bab6-ba18a22c77aa
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid C-glycosides > Flavonoid 8-C-glycosides
• IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
• SMILES (Canonical): C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O
• SMILES (Isomeric): C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)[C@H]4C([C@H]([C@@H](C(O4)CO)O)O)O)O)[C@H]5C([C@H]([C@@H](C(O5)CO)O)O)O)O)O)O
• InChI: InChI=1S/C27H30O16/c28-5-12-17(33)21(37)23(39)26(42-12)15-19(35)14-10(32)4-11(7-1-2-8(30)9(31)3-7)41-25(14)16(20(15)36)27-24(40)22(38)18(34)13(6-29)43-27/h1-4,12-13,17-18,21-24,26-31,33-40H,5-6H2/t12?,13?,17-,18-,21+,22+,23?,24?,26+,27+/m1/s1
• InChI Key: ZLPSOQFIIQIIAX-PSCXIDSDSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₇H₃₀O₁₆
• Molecular Weight: 610.50 g/mol
• Exact Mass: 610.15338487 g/mol
• Topological Polar Surface Area (TPSA): 288.00 Ų
• XlogP: -2.60

Synonyms

• LMPK12110500

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	99.77%	91.11%
CHEMBL2581	P07339	Cathepsin D	97.70%	98.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	94.83%	89.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	93.86%	99.15%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	90.97%	94.00%
CHEMBL3401	O75469	Pregnane X receptor	90.27%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.83%	95.56%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	87.53%	86.92%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.93%	86.33%
CHEMBL1951	P21397	Monoamine oxidase A	84.81%	91.49%
CHEMBL3137262	O60341	LSD1/CoREST complex	82.95%	97.09%
CHEMBL5284	Q96RR4	CaM-kinase kinase beta	81.69%	89.23%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	80.91%	90.71%

Plants that contains it

• Artemisia judaica
• Artemisia monosperma
• Asplenium normale
• Bryum pseudotriquetrum
• Ephedra nevadensis
• Hedwigia ciliata
• Parkinsonia aculeata
• Passiflora incarnata
• Passiflora sexflora
• Phlomis aurea
• Plagiomnium elatum
• Pyrrosia serpens
• Rhynchosia minima
• Scorodocarpus borneensis
• Stachys aegyptiaca
• Trichomanes crispum

Cross-Links

• PubChem: 44257937
• LOTUS: LTS0058881
• wikiData: Q104246936