Isomacarangin

Details

• Internal ID: a5cda001-0ab4-4967-a720-1574ff77a816
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavones > 8-prenylated flavones
• IUPAC Name: 8-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
• InChI: InChI=1S/C25H26O6/c1-14(2)5-4-6-15(3)7-12-18-19(27)13-20(28)21-22(29)23(30)24(31-25(18)21)16-8-10-17(26)11-9-16/h5,7-11,13,26-28,30H,4,6,12H2,1-3H3/b15-7-
• InChI Key: IGGXIQKUMBVBRV-CHHVJCJISA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₅H₂₆O₆
• Molecular Weight: 422.50 g/mol
• Exact Mass: 422.17293854 g/mol
• Topological Polar Surface Area (TPSA): 107.00 Ų
• XlogP: 6.30

Synonyms

• NSC703083
• LMPK12111987
• NSC-703083

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	99.49%	91.11%
CHEMBL2581	P07339	Cathepsin D	97.54%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	96.38%	94.73%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	94.08%	94.45%
CHEMBL1951	P21397	Monoamine oxidase A	93.94%	91.49%
CHEMBL1806	P11388	DNA topoisomerase II alpha	93.04%	89.00%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	90.51%	93.10%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.86%	86.33%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	88.28%	92.08%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.89%	99.17%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	87.24%	94.00%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	87.08%	95.64%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	85.40%	99.15%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.33%	95.56%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	82.56%	90.71%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.38%	99.23%
CHEMBL242	Q92731	Estrogen receptor beta	80.77%	98.35%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	80.26%	91.71%

Plants that contains it

• Macaranga schweinfurthii

Cross-Links

• PubChem: 5352097
• LOTUS: LTS0212240
• wikiData: Q105112634