Lonchocarpol C

Details

• Internal ID: 6995245a-2bde-47ed-bcb7-de3480bac5da
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones
• IUPAC Name: (2S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-6-(3-methylbut-2-enyl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one
• SMILES (Canonical): CC(=CCC1=C(C2=C(C3=C1OC(C3)C(C)(C)O)OC(CC2=O)C4=CC=C(C=C4)O)O)C
• SMILES (Isomeric): CC(=CCC1=C(C2=C(C3=C1OC(C3)C(C)(C)O)O[C@@H](CC2=O)C4=CC=C(C=C4)O)O)C
• InChI: InChI=1S/C25H28O6/c1-13(2)5-10-16-22(28)21-18(27)12-19(14-6-8-15(26)9-7-14)30-24(21)17-11-20(25(3,4)29)31-23(16)17/h5-9,19-20,26,28-29H,10-12H2,1-4H3/t19-,20?/m0/s1
• InChI Key: UICPJXWESAHQFX-XJDOXCRVSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₅H₂₈O₆
• Molecular Weight: 424.50 g/mol
• Exact Mass: 424.18858861 g/mol
• Topological Polar Surface Area (TPSA): 96.20 Ų
• XlogP: 4.70

Synonyms

• LMPK12140263

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	99.33%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	96.78%	94.45%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	96.22%	85.14%
CHEMBL2581	P07339	Cathepsin D	94.97%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	93.12%	94.73%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.34%	97.09%
CHEMBL301	P24941	Cyclin-dependent kinase 2	90.05%	91.23%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.40%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.77%	86.33%
CHEMBL5852	Q96P65	Pyroglutamylated RFamide peptide receptor	85.67%	85.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	85.55%	95.89%
CHEMBL1806	P11388	DNA topoisomerase II alpha	85.38%	89.00%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	82.22%	90.93%
CHEMBL3004	P33527	Multidrug resistance-associated protein 1	81.79%	96.37%
CHEMBL1994	P08235	Mineralocorticoid receptor	80.52%	100.00%

Plants that contains it

• Lonchocarpus minimiflorus

Cross-Links

• PubChem: 44260095
• LOTUS: LTS0110219
• wikiData: Q105273234