cis-1(7),5-p-Menthadien-2-ol

Details

• Internal ID: e821e5e0-4d2f-41a0-b58a-feb16e09f6c9
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Menthane monoterpenoids
• IUPAC Name: (1R,5R)-2-methylidene-5-propan-2-ylcyclohex-3-en-1-ol
• SMILES (Canonical): CC(C)C1CC(C(=C)C=C1)O
• SMILES (Isomeric): CC(C)[C@H]1C[C@H](C(=C)C=C1)O
• InChI: InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-5,7,9-11H,3,6H2,1-2H3/t9-,10-/m1/s1
• InChI Key: VKAGFXRPRUAOHV-NXEZZACHSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₆O
• Molecular Weight: 152.23 g/mol
• Exact Mass: 152.120115130 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 2.10

Synonyms

• cis-1(7),5-p-Menthadien-2-ol

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.24%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	87.73%	97.25%
CHEMBL1951	P21397	Monoamine oxidase A	86.62%	91.49%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.57%	96.09%
CHEMBL2581	P07339	Cathepsin D	86.12%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.83%	95.56%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.82%	94.45%
CHEMBL2996	Q05655	Protein kinase C delta	82.82%	97.79%
CHEMBL3137262	O60341	LSD1/CoREST complex	81.78%	97.09%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	81.29%	89.62%
CHEMBL4208	P20618	Proteasome component C5	80.06%	90.00%

Plants that contains it

• Angelica archangelica

Cross-Links

• PubChem: 91753261
• LOTUS: LTS0148589
• wikiData: Q105287633