Lonchocarpol B

Details

• Internal ID: 7e92daf3-4912-4afc-9c26-85821af34895
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones
• IUPAC Name: 8-(2,3-dihydroxy-3-methylbutyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
• SMILES (Canonical): CC(=CCC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC=C(C=C3)O)CC(C(C)(C)O)O)O)C
• SMILES (Isomeric): CC(=CCC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC=C(C=C3)O)CC(C(C)(C)O)O)O)C
• InChI: InChI=1S/C25H30O7/c1-13(2)5-10-16-22(29)17(11-20(28)25(3,4)31)24-21(23(16)30)18(27)12-19(32-24)14-6-8-15(26)9-7-14/h5-9,19-20,26,28-31H,10-12H2,1-4H3
• InChI Key: HSPZURODGUDKAX-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₅H₃₀O₇
• Molecular Weight: 442.50 g/mol
• Exact Mass: 442.19915329 g/mol
• Topological Polar Surface Area (TPSA): 127.00 Ų
• XlogP: 3.90

Synonyms

• CHEBI:187246
• LMPK12140287
• 8-(2,3-dihydroxy-3-methylbutyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one

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
CHEMBL2581	P07339	Cathepsin D	98.43%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.36%	91.11%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	97.89%	85.14%
CHEMBL3401	O75469	Pregnane X receptor	93.78%	94.73%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	93.35%	94.45%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.71%	97.09%
CHEMBL301	P24941	Cyclin-dependent kinase 2	90.68%	91.23%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.47%	96.09%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	88.56%	90.93%
CHEMBL1806	P11388	DNA topoisomerase II alpha	87.11%	89.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.61%	95.56%
CHEMBL5608	Q16288	NT-3 growth factor receptor	84.36%	95.89%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.81%	99.23%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.10%	99.17%
CHEMBL5852	Q96P65	Pyroglutamylated RFamide peptide receptor	80.01%	85.00%

Plants that contains it

• Lonchocarpus minimiflorus

Cross-Links

• PubChem: 13846820
• LOTUS: LTS0201173
• wikiData: Q105033205