Fomajorin D

Details

• Internal ID: b1a9d6a9-00e9-4e3e-85e8-cac53cbb5656
• Taxonomy: Phenylpropanoids and polyketides > Isocoumarins and derivatives
• IUPAC Name: 9-hydroxy-5,7,7-trimethyl-6,8-dihydrocyclopenta[g]isochromen-1-one
• SMILES (Canonical): CC1=C2C=COC(=O)C2=C(C3=C1CC(C3)(C)C)O
• SMILES (Isomeric): CC1=C2C=COC(=O)C2=C(C3=C1CC(C3)(C)C)O
• InChI: InChI=1S/C15H16O3/c1-8-9-4-5-18-14(17)12(9)13(16)11-7-15(2,3)6-10(8)11/h4-5,16H,6-7H2,1-3H3
• InChI Key: PKEYQFBXSBAZRB-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₆O₃
• Molecular Weight: 244.28 g/mol
• Exact Mass: 244.109944368 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 4.00

Synonyms

• 5KTY97BK8Z
• FD-86
• UNII-5KTY97BK8Z
• 85533-03-5
• 7,8-Dihydro-9-hydroxy-5,7,7-trimethylcyclopenta(g)-2-benzopyran-1(6H)-one
• Cyclopenta(g)-2-benzopyran-1(6H)-one, 7,8-dihydro-9-hydroxy-5,7,7-trimethyl-
• Q27896973

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	98.70%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	98.33%	91.49%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.26%	95.56%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	92.57%	94.45%
CHEMBL2581	P07339	Cathepsin D	92.45%	98.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	92.37%	89.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	87.51%	94.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	86.75%	99.23%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	86.13%	93.65%
CHEMBL5608	Q16288	NT-3 growth factor receptor	84.95%	95.89%
CHEMBL3401	O75469	Pregnane X receptor	83.66%	94.73%

Plants that contains it

• Dioscorea bulbifera

Cross-Links

• PubChem: 13873514
• LOTUS: LTS0215083
• wikiData: Q105219084