Lanceolatin A

Details

• Internal ID: d439c359-4930-442e-ab48-debfdb5a88b9
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
• IUPAC Name: 8-[(E)-3-hydroxy-3-methylbut-1-enyl]-7-methoxy-2-phenylchromen-4-one
• SMILES (Canonical): CC(C)(C=CC1=C(C=CC2=C1OC(=CC2=O)C3=CC=CC=C3)OC)O
• SMILES (Isomeric): CC(C)(/C=C/C1=C(C=CC2=C1OC(=CC2=O)C3=CC=CC=C3)OC)O
• InChI: InChI=1S/C21H20O4/c1-21(2,23)12-11-16-18(24-3)10-9-15-17(22)13-19(25-20(15)16)14-7-5-4-6-8-14/h4-13,23H,1-3H3/b12-11+
• InChI Key: GWHQUBFEZSVTKH-VAWYXSNFSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₂₀O₄
• Molecular Weight: 336.40 g/mol
• Exact Mass: 336.13615911 g/mol
• Topological Polar Surface Area (TPSA): 55.80 Ų
• XlogP: 3.50

Synonyms

• 41689-78-5
• 8-[(E)-3-hydroxy-3-methylbut-1-enyl]-7-methoxy-2-phenylchromen-4-one
• (E)-8-(3-hydroxy-3-methylbut-1-en-1-yl)-7-methoxy-2-phenyl-4H-chromen-4-one
• 8-[(E)-3-Hydroxy-3-methyl-1-butenyl]-7-methoxy-2-phenyl-4H-1-benzopyran-4-one
• Lanceolatin A (flavonoid)
• LANCEOLATIN-A
• CHEMBL2286769
• CHEBI:180250
• LMPK12110019
• AKOS040752402

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	98.30%	95.56%
CHEMBL2581	P07339	Cathepsin D	97.16%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.46%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	95.02%	86.33%
CHEMBL1806	P11388	DNA topoisomerase II alpha	92.27%	89.00%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	89.37%	96.00%
CHEMBL3401	O75469	Pregnane X receptor	86.86%	94.73%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	86.15%	92.08%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	85.60%	94.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.60%	99.17%
CHEMBL1255126	O15151	Protein Mdm4	85.16%	90.20%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	85.06%	95.50%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	83.61%	97.14%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.33%	99.23%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	81.25%	85.14%

Plants that contains it

• Tephrosia falciformis
• Tephrosia hookeriana
• Tephrosia purpurea

Cross-Links

• PubChem: 6442389
• LOTUS: LTS0174119
• wikiData: Q76386878