cis-5-Hydroxy-p-menth-1(6)-en-2-one

Details

• Internal ID: 20f257d1-9916-45c6-9f29-dcdaef74a327
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Menthane monoterpenoids
• IUPAC Name: (4S,5R)-4-hydroxy-2-methyl-5-propan-2-ylcyclohex-2-en-1-one
• SMILES (Canonical): CC1=CC(C(CC1=O)C(C)C)O
• SMILES (Isomeric): CC1=C[C@H]([C@H](CC1=O)C(C)C)O
• InChI: InChI=1S/C10H16O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,6,8,10,12H,5H2,1-3H3/t8-,10-/m1/s1
• InChI Key: ZFUJCNJIGDBFEP-PSASIEDQSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₆O₂
• Molecular Weight: 168.23 g/mol
• Exact Mass: 168.115029749 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 1.40

Synonyms

• ZFUJCNJIGDBFEP-PSASIEDQSA-N

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	94.21%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.65%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.50%	96.09%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	86.66%	90.71%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	84.03%	85.14%

Plants that contains it

• Boswellia sacra
• Foeniculum vulgare

Cross-Links

• PubChem: 6429208
• LOTUS: LTS0172890
• wikiData: Q105374720