Dihydrocycloartomunin

Details

• Internal ID: b07e64f6-0c47-4395-9118-4911c0ca583d
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids
• IUPAC Name: 2,3,8-trihydroxy-10-methoxy-11-(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one
• SMILES (Canonical): CC(=CCC1=C(C=C(C2=C1OC3=C(C2=O)C(OC4=CC(=C(C=C43)O)O)C=C(C)C)O)OC)C
• SMILES (Isomeric): CC(=CCC1=C(C=C(C2=C1OC3=C(C2=O)C(OC4=CC(=C(C=C43)O)O)C=C(C)C)O)OC)C
• InChI: InChI=1S/C26H26O7/c1-12(2)6-7-14-19(31-5)11-18(29)22-24(30)23-21(8-13(3)4)32-20-10-17(28)16(27)9-15(20)26(23)33-25(14)22/h6,8-11,21,27-29H,7H2,1-5H3
• InChI Key: FIYIGIGIGDUJQB-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₆H₂₆O₇
• Molecular Weight: 450.50 g/mol
• Exact Mass: 450.16785316 g/mol
• Topological Polar Surface Area (TPSA): 105.00 Ų
• XlogP: 5.80

Synonyms

• CHEBI:171744
• DTXSID501103929
• LMPK12110931
• 135023-16-4
• 2,3,8-Trihydroxy-10-methoxy-11-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one, 9CI
• 2,3,8-trihydroxy-10-methoxy-11-(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one
• 6H,7H-[1]Benzopyrano[4,3-b][1]benzopyran-7-one, 2,3,8-trihydroxy-10-methoxy-11-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-

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	99.12%	91.11%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	92.89%	96.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	92.20%	89.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.21%	95.56%
CHEMBL2581	P07339	Cathepsin D	90.79%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.67%	94.45%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.34%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.25%	86.33%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	89.23%	94.00%
CHEMBL3194	P02766	Transthyretin	87.92%	90.71%
CHEMBL241	Q14432	Phosphodiesterase 3A	87.54%	92.94%
CHEMBL3401	O75469	Pregnane X receptor	86.31%	94.73%
CHEMBL1163101	O75460	Serine/threonine-protein kinase/endoribonuclease IRE1	85.59%	98.11%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.73%	99.23%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	83.43%	96.09%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	82.72%	92.62%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.93%	95.89%
CHEMBL2413	P32246	C-C chemokine receptor type 1	80.98%	89.50%

Plants that contains it

• Artocarpus altilis

Cross-Links

• PubChem: 10072454
• LOTUS: LTS0250893
• wikiData: Q104995932