Mammeisin

Details

• Internal ID: 2396ac52-135b-4016-870a-350cac76e50f
• Taxonomy: Phenylpropanoids and polyketides > Neoflavonoids > Prenylated neoflavonoids
• IUPAC Name: 5,7-dihydroxy-6-(3-methylbutanoyl)-8-(3-methylbut-2-enyl)-4-phenylchromen-2-one
• SMILES (Canonical): CC(C)CC(=O)C1=C(C2=C(C(=C1O)CC=C(C)C)OC(=O)C=C2C3=CC=CC=C3)O
• SMILES (Isomeric): CC(C)CC(=O)C1=C(C2=C(C(=C1O)CC=C(C)C)OC(=O)C=C2C3=CC=CC=C3)O
• InChI: InChI=1S/C25H26O5/c1-14(2)10-11-17-23(28)22(19(26)12-15(3)4)24(29)21-18(13-20(27)30-25(17)21)16-8-6-5-7-9-16/h5-10,13,15,28-29H,11-12H2,1-4H3
• InChI Key: JIFOADIANOIMSK-UHFFFAOYSA-N
• Popularity: 21 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₅H₂₆O₅
• Molecular Weight: 406.50 g/mol
• Exact Mass: 406.17802393 g/mol
• Topological Polar Surface Area (TPSA): 83.80 Ų
• XlogP: 5.80

Synonyms

• 18483-64-2
• MAMMEA A/AA
• CHEBI:69990
• 5,7-Dihydroxy-8-(3-methyl-2-butenyl)-6-(3-methyl-1-oxobutyl)-4-phenyl-2H-1-benzopyran-2-one
• 4-Phenyl-5,7-dihydroxy-6-(3-methylbutanoyl)-8-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one
• 2H-1-Benzopyran-2-one, 5,7-dihydroxy-8-(3-methyl-2-butenyl)-6-(3-methyl-1-oxobutyl)-4-phenyl-
• 5,7-dihydroxy-6-(3-methylbutanoyl)-8-(3-methylbut-2-enyl)-4-phenylchromen-2-one
• CHEMBL194485
• SCHEMBL6913744
• DTXSID20171665
• BDBM50483571
• LMPK12100002
• NSC781046
• AKOS040752922
• NSC-781046
• C09275
• Q27138334
• 5,7-Dihydroxy-8-isopentenyl-6-isovaleroyl-4-phenylcoumarin
• 5,7-Dihydroxy-8-(3-methyl-2-butenyl)-6-(3-methylbutyryl)-4-phenylcoumarin
• 5,7-dihydroxy-6-(3-methylbutanoyl)-8-(3-methylbut-2-enyl)-4-phenyl-chromen-2-one
• 5,7-Dihydroxy-8-(3-methyl-2-butenyl)-6-(3-methyl-1-oxobutyl)-4-phenyl-2H-1-benzopyran-2-one, 9CI

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	99.20%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.46%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.52%	86.33%
CHEMBL3401	O75469	Pregnane X receptor	93.30%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.22%	95.56%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	89.94%	95.50%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	89.73%	89.34%
CHEMBL1806	P11388	DNA topoisomerase II alpha	88.74%	89.00%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	88.07%	96.00%
CHEMBL221	P23219	Cyclooxygenase-1	87.49%	90.17%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	86.98%	99.15%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.42%	99.17%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.22%	99.23%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	83.21%	85.14%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	81.42%	96.95%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	80.23%	97.21%

Plants that contains it

• Calophyllum dispar
• Kielmeyera elata
• Mammea africana
• Mammea americana
• Mesua assamica
• Mesua ferrea
• Mesua racemosa

Cross-Links

• PubChem: 5281419
• NPASS: NPC1886
• ChEMBL: CHEMBL194485
• LOTUS: LTS0211549
• wikiData: Q27138334