Agripilol C

Details

• Internal ID: a62ac9dc-75f2-48b7-826c-0963fe148a7b
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: (1R,4R,4aR,8aR)-6-(hydroxymethyl)-4-(1-hydroxypropan-2-yl)-1-methyl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
• SMILES (Canonical): CC(CO)C1CCC(C2C1C=C(CC2)CO)(C)O
• SMILES (Isomeric): CC(CO)[C@@H]1CC[C@@]([C@H]2[C@H]1C=C(CC2)CO)(C)O
• InChI: InChI=1S/C15H26O3/c1-10(8-16)12-5-6-15(2,18)14-4-3-11(9-17)7-13(12)14/h7,10,12-14,16-18H,3-6,8-9H2,1-2H3/t10?,12-,13-,14+,15+/m0/s1
• InChI Key: LZXFFWYWCBBKFD-RLQZQBMHSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₆O₃
• Molecular Weight: 254.36 g/mol
• Exact Mass: 254.18819469 g/mol
• Topological Polar Surface Area (TPSA): 60.70 Ų
• XlogP: 0.90

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	98.46%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.64%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.43%	91.11%
CHEMBL4040	P28482	MAP kinase ERK2	91.61%	83.82%
CHEMBL226	P30542	Adenosine A1 receptor	90.74%	95.93%
CHEMBL2996	Q05655	Protein kinase C delta	89.49%	97.79%
CHEMBL1994	P08235	Mineralocorticoid receptor	89.21%	100.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.26%	97.09%
CHEMBL2581	P07339	Cathepsin D	88.16%	98.95%
CHEMBL1937	Q92769	Histone deacetylase 2	87.06%	94.75%
CHEMBL5608	Q16288	NT-3 growth factor receptor	85.53%	95.89%
CHEMBL3192	Q9BY41	Histone deacetylase 8	84.46%	93.99%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	80.45%	95.56%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 101960567
• LOTUS: LTS0078206
• wikiData: Q77513722