(+)-Asarinol D

Details

• Internal ID: 8aecd384-cc91-446f-9fc1-71a8fc5cbfee
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Monocyclic monoterpenoids
• IUPAC Name: (4S,5S)-4,5-dihydroxy-2,6,6-trimethylcyclohept-2-en-1-one
• SMILES (Canonical): CC1=CC(C(C(CC1=O)(C)C)O)O
• SMILES (Isomeric): CC1=C[C@@H]([C@H](C(CC1=O)(C)C)O)O
• InChI: InChI=1S/C10H16O3/c1-6-4-7(11)9(13)10(2,3)5-8(6)12/h4,7,9,11,13H,5H2,1-3H3/t7-,9+/m0/s1
• InChI Key: DZJPPPIUXJAURL-IONNQARKSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₆O₃
• Molecular Weight: 184.23 g/mol
• Exact Mass: 184.109944368 g/mol
• Topological Polar Surface Area (TPSA): 57.50 Ų
• XlogP: 0.40

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.71%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.60%	91.11%
CHEMBL1937	Q92769	Histone deacetylase 2	86.36%	94.75%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.06%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	86.00%	97.25%
CHEMBL2581	P07339	Cathepsin D	84.80%	98.95%
CHEMBL3492	P49721	Proteasome Macropain subunit	83.30%	90.24%
CHEMBL1994	P08235	Mineralocorticoid receptor	80.40%	100.00%

Plants that contains it

• Asarum heterotropoides
• Asarum sieboldii

Cross-Links

• PubChem: 21631052
• NPASS: NPC115499
• LOTUS: LTS0079919
• wikiData: Q104991838