(3s,4s,6r)-3,6-Dihydroxy-1-menthene

Details

• Internal ID: 18ffe70f-8fa6-4f29-a1ad-3a02af02811c
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Menthane monoterpenoids
• IUPAC Name: (1R,4S,5S)-2-methyl-5-propan-2-ylcyclohex-2-ene-1,4-diol
• SMILES (Canonical): CC1=CC(C(CC1O)C(C)C)O
• SMILES (Isomeric): CC1=C[C@H]([C@@H](C[C@H]1O)C(C)C)O
• InChI: InChI=1S/C10H18O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,6,8-12H,5H2,1-3H3/t8-,9+,10+/m0/s1
• InChI Key: CDEBGVXOFDWUAF-IVZWLZJFSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₈O₂
• Molecular Weight: 170.25 g/mol
• Exact Mass: 170.130679813 g/mol
• Topological Polar Surface Area (TPSA): 40.50 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	88.60%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	84.10%	97.25%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.58%	97.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.19%	95.56%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	82.97%	97.23%
CHEMBL3359	P21462	Formyl peptide receptor 1	81.12%	93.56%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	80.07%	97.21%

Plants that contains it

• Boswellia sacra
• Sphaeranthus confertifolius

Cross-Links

• PubChem: 13919075
• LOTUS: LTS0194334
• wikiData: Q104954283