1-(7,8,8a-trihydroxy-2-methyl-6-propan-2-yl-1H-naphthalen-1-yl)-4-hydroxy-4-methylpentan-3-one

Details

• Internal ID: 2eeadd68-10c2-4ab9-81be-e1daa605c3a9
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
• IUPAC Name: 1-(7,8,8a-trihydroxy-2-methyl-6-propan-2-yl-1H-naphthalen-1-yl)-4-hydroxy-4-methylpentan-3-one
• InChI: InChI=1S/C20H28O5/c1-11(2)14-10-13-7-6-12(3)15(8-9-16(21)19(4,5)24)20(13,25)18(23)17(14)22/h6-7,10-11,15,22-25H,8-9H2,1-5H3
• InChI Key: PAXBRBHXWXXRQV-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₈O₅
• Molecular Weight: 348.40 g/mol
• Exact Mass: 348.19367399 g/mol
• Topological Polar Surface Area (TPSA): 98.00 Ų
• XlogP: 0.80

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	99.06%	97.25%
CHEMBL2581	P07339	Cathepsin D	95.14%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.79%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.95%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.30%	94.45%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	84.22%	97.21%
CHEMBL3359	P21462	Formyl peptide receptor 1	83.52%	93.56%
CHEMBL3401	O75469	Pregnane X receptor	82.97%	94.73%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	81.99%	90.93%

Plants that contains it

• Salvia eriophora
• Salvia limbata
• Salvia montbretii

Cross-Links

• PubChem: 15786258
• LOTUS: LTS0122328
• wikiData: Q105204920