Jatamanin L

Details

• Internal ID: a2d36e42-b661-4bb1-a8c7-bb8d1a52262d
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Monocyclic monoterpenoids
• IUPAC Name: methyl (1S,2S,3S,5S)-2,3-dihydroxy-2-methyl-5-(3-oxoprop-1-en-2-yl)cyclopentane-1-carboxylate
• InChI: InChI=1S/C11H16O5/c1-6(5-12)7-4-8(13)11(2,15)9(7)10(14)16-3/h5,7-9,13,15H,1,4H2,2-3H3/t7-,8+,9-,11-/m1/s1
• InChI Key: HJTVDWWIPXDJBB-PKIKSRDPSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₆O₅
• Molecular Weight: 228.24 g/mol
• Exact Mass: 228.09977361 g/mol
• Topological Polar Surface Area (TPSA): 83.80 Ų
• XlogP: -0.10

Synonyms

• CHEMBL1097608
• SCHEMBL29426012

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	94.87%	96.09%
CHEMBL3267	P48736	PI3-kinase p110-gamma subunit	94.21%	95.71%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.95%	91.11%
CHEMBL340	P08684	Cytochrome P450 3A4	91.05%	91.19%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	90.09%	94.45%
CHEMBL4040	P28482	MAP kinase ERK2	88.38%	83.82%
CHEMBL1907602	P06493	Cyclin-dependent kinase 1/cyclin B1	84.59%	91.24%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	81.17%	96.95%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	80.90%	95.50%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	80.74%	95.56%

Plants that contains it

• Valeriana jatamansi

Cross-Links

• PubChem: 46211185
• NPASS: NPC117787