Hispidulactone D

Details

• Internal ID: 42f93f20-38fc-4089-87d9-9c8edf0455fe
• Taxonomy: Phenylpropanoids and polyketides > Isocoumarins and derivatives
• IUPAC Name: 5,6,8-trimethoxy-3-[(Z)-pent-3-enyl]isochromen-1-one
• SMILES (Canonical): CC=CCCC1=CC2=C(C(=CC(=C2OC)OC)OC)C(=O)O1
• SMILES (Isomeric): C/C=C\CCC1=CC2=C(C(=CC(=C2OC)OC)OC)C(=O)O1
• InChI: InChI=1S/C17H20O5/c1-5-6-7-8-11-9-12-15(17(18)22-11)13(19-2)10-14(20-3)16(12)21-4/h5-6,9-10H,7-8H2,1-4H3/b6-5-
• InChI Key: HOIZQAXSACOYIA-WAYWQWQTSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₂₀O₅
• Molecular Weight: 304.34 g/mol
• Exact Mass: 304.13107373 g/mol
• Topological Polar Surface Area (TPSA): 54.00 Ų
• XlogP: 3.40

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	97.43%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	92.10%	86.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	91.18%	99.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.06%	95.56%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	89.28%	96.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	88.98%	94.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	85.40%	89.00%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	85.13%	89.34%
CHEMBL1907	P15144	Aminopeptidase N	83.93%	93.31%
CHEMBL3401	O75469	Pregnane X receptor	83.06%	94.73%
CHEMBL2535	P11166	Glucose transporter	82.52%	98.75%
CHEMBL2581	P07339	Cathepsin D	80.69%	98.95%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 146684218
• LOTUS: LTS0083871
• wikiData: Q105031311