Acaciicolinol D

Details

• Internal ID: 2f2e83d9-2447-49fe-812b-c5fd7a77e07f
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Chamigranes
• IUPAC Name: (2S,4S,6S)-9-(hydroxymethyl)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-2,4-diol
• SMILES (Canonical): CC1(C(CC(C(=C)C12CCC(=CC2)CO)O)O)C
• SMILES (Isomeric): CC1([C@H](C[C@@H](C(=C)[C@]12CCC(=CC2)CO)O)O)C
• InChI: InChI=1S/C15H24O3/c1-10-12(17)8-13(18)14(2,3)15(10)6-4-11(9-16)5-7-15/h4,12-13,16-18H,1,5-9H2,2-3H3/t12-,13-,15-/m0/s1
• InChI Key: KYEPXJWFBINNCW-YDHLFZDLSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₄O₃
• Molecular Weight: 252.35 g/mol
• Exact Mass: 252.17254462 g/mol
• Topological Polar Surface Area (TPSA): 60.70 Ų
• XlogP: 1.00

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.62%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.52%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	94.60%	97.25%
CHEMBL1994	P08235	Mineralocorticoid receptor	87.60%	100.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	86.77%	97.09%
CHEMBL2996	Q05655	Protein kinase C delta	86.45%	97.79%
CHEMBL2815	P04629	Nerve growth factor receptor Trk-A	85.37%	87.16%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.88%	94.45%
CHEMBL226	P30542	Adenosine A1 receptor	83.00%	95.93%
CHEMBL2581	P07339	Cathepsin D	82.75%	98.95%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.52%	95.89%
CHEMBL1977	P11473	Vitamin D receptor	82.43%	99.43%
CHEMBL221	P23219	Cyclooxygenase-1	80.12%	90.17%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139590763
• LOTUS: LTS0044032
• wikiData: Q105147688