Lippifoli-1(6)-en-5-one

Details

• Internal ID: 32976c2a-1dda-4100-97f3-6ce087df3ac0
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Himachalane and lippifoliane sesquiterpenoids
• IUPAC Name: (1aR,5R,7bR)-3,3,5,7b-tetramethyl-1,1a,2,5,6,7-hexahydrocyclopropa[a]naphthalen-4-one
• SMILES (Canonical): CC1CCC2=C(C1=O)C(CC3C2(C3)C)(C)C
• SMILES (Isomeric): C[C@@H]1CCC2=C(C1=O)C(C[C@@H]3[C@]2(C3)C)(C)C
• InChI: InChI=1S/C15H22O/c1-9-5-6-11-12(13(9)16)14(2,3)7-10-8-15(10,11)4/h9-10H,5-8H2,1-4H3/t9-,10+,15-/m1/s1
• InChI Key: GGVZJDBDOZDSMR-HFBDOXOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₂O
• Molecular Weight: 218.33 g/mol
• Exact Mass: 218.167065321 g/mol
• Topological Polar Surface Area (TPSA): 17.10 Ų
• XlogP: 3.60

Synonyms

• GGVZJDBDOZDSMR-HFBDOXOYSA-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
CHEMBL253	P34972	Cannabinoid CB2 receptor	93.44%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.37%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.91%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.09%	91.11%
CHEMBL2581	P07339	Cathepsin D	86.13%	98.95%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.64%	97.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	84.46%	100.00%
CHEMBL1902	P62942	FK506-binding protein 1A	84.40%	97.05%
CHEMBL1871	P10275	Androgen Receptor	83.07%	96.43%
CHEMBL1951	P21397	Monoamine oxidase A	80.82%	91.49%

Plants that contains it

• Aloysia citrodora
• Lippia integrifolia

Cross-Links

• PubChem: 91750065
• LOTUS: LTS0040064
• wikiData: Q104375811