Malfilanol A

Details

• Internal ID: 23d72d90-7710-4472-a3fa-74d25a669904
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols
• IUPAC Name: (4aS,9R,9aR)-9-hydroxy-6,6,9-trimethyl-2,4a,5,7,8,9a-hexahydro-1H-benzo[7]annulene-3-carboxylic acid
• InChI: InChI=1S/C15H24O3/c1-14(2)6-7-15(3,18)12-5-4-10(13(16)17)8-11(12)9-14/h8,11-12,18H,4-7,9H2,1-3H3,(H,16,17)/t11-,12-,15-/m1/s1
• InChI Key: FCCZNLPVQDZELH-LALPHHSUSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₄O₃
• Molecular Weight: 252.35 g/mol
• Exact Mass: 252.17254462 g/mol
• Topological Polar Surface Area (TPSA): 57.50 Ų
• XlogP: 2.80

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.07%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.75%	91.11%
CHEMBL1994	P08235	Mineralocorticoid receptor	88.46%	100.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.11%	95.56%
CHEMBL253	P34972	Cannabinoid CB2 receptor	86.75%	97.25%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.20%	97.09%
CHEMBL2581	P07339	Cathepsin D	80.76%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	80.70%	94.45%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 42631323
• LOTUS: LTS0200444
• wikiData: Q77422110