(2R)-6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol

Details

• Internal ID: feaa1967-cf45-4289-a971-21a59f5a1171
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: (2R)-6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol
• SMILES (Canonical): CC1=CCC(CC1)C(C)(CCC=C(C)C)O
• SMILES (Isomeric): CC1=CCC(CC1)[C@@](C)(CCC=C(C)C)O
• InChI: InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14?,15-/m1/s1
• InChI Key: RGZSQWQPBWRIAQ-YSSOQSIOSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₆O
• Molecular Weight: 222.37 g/mol
• Exact Mass: 222.198365449 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 3.80

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	96.01%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.59%	91.11%
CHEMBL2581	P07339	Cathepsin D	91.29%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	88.81%	94.73%
CHEMBL3137262	O60341	LSD1/CoREST complex	86.35%	97.09%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.85%	96.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	84.39%	100.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.83%	95.89%
CHEMBL3359	P21462	Formyl peptide receptor 1	81.50%	93.56%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	80.34%	95.56%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	80.30%	95.89%

Plants that contains it

• Abies sibirica
• Achillea millefolium
• Aristolochia asclepiadifolia
• Artemisia absinthium
• Atractylodes lancea
• Baccharis scandens
• Cannabis sativa
• Cistus albidus
• Citrus × aurantium
• Commiphora africana
• Ferula hermonis
• Gossypium hirsutum
• Helichrysum odoratissimum
• Heracleum dissectum
• Humulus lupulus
• Lantana camara
• Laser trilobum
• Lavandula stoechas subsp. luisieri
• Lepechinia chamaedryoides
• Mutisia spinosa
• Pelargonium endlicherianum
• Piper fimbriulatum
• Piper guineense
• Prangos uechtritzii
• Santalum spicatum
• Santolina chamaecyparissus
• Seriphidium herba-alba
• Sideritis dichotoma
• Sideritis reverchonii
• Sideritis tragoriganum
• Spondias mombin
• Varronia curassavica
• Vitex negundo
• Xylopia aromatica

Cross-Links

• PubChem: 6506009
• LOTUS: LTS0088859
• wikiData: Q104249266