Chrysanthemol

Details

• Internal ID: 3ce14e6e-0af7-4a9c-abbb-f6f34dc4485e
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Monocyclic monoterpenoids
• IUPAC Name: [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanol
• SMILES (Canonical): CC(=CC1C(C1(C)C)CO)C
• SMILES (Isomeric): CC(=CC1C(C1(C)C)CO)C
• InChI: InChI=1S/C10H18O/c1-7(2)5-8-9(6-11)10(8,3)4/h5,8-9,11H,6H2,1-4H3
• InChI Key: HIPIENNKVJCMAP-UHFFFAOYSA-N
• Popularity: 28 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₈O
• Molecular Weight: 154.25 g/mol
• Exact Mass: 154.135765193 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 2.50

Synonyms

• Chrysanthemyl alcohol
• 5617-92-5
• [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanol
• 2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanemethanol
• CHEBI:81217
• trans-Chrysanthemyl alcohol
• EINECS 227-045-0
• AI3-20836
• [2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropyl]methanol
• Spectrum_001321
• SpecPlus_000337
• Spectrum2_001768
• Spectrum3_001332
• Spectrum4_001654
• Spectrum5_000527
• UNII-R52DEG7BXK
• R52DEG7BXK
• BSPBio_003083
• KBioGR_002147
• KBioSS_001801
• SPECTRUM300566
• [2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropyl]methanol #
• DivK1c_006433
• SCHEMBL522961
• SPBio_001635
• CHEMBL1318346
• KBio1_001377
• KBio2_001801
• KBio2_004369
• KBio2_006937
• KBio3_002303
• DTXSID10971555
• HIPIENNKVJCMAP-UHFFFAOYSA-N
• CCG-38818
• MFCD00001305
• AKOS015910737
• SDCCGMLS-0066572.P001
• NCGC00095607-01
• NCGC00095607-02
• C17611
• SR-05000002388
• SR-05000002388-1
• Q27155163
• Cyclopropanemethanol, 2,2-dimethyl-3-(2-methyl-1-propenyl)-
• Cyclopropanemethanol, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (cis,trans-(+/-))-
• Cyclopropanemethanol,2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-,(1R,3S)-rel-

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL2903	P16050	Arachidonate 15-lipoxygenase	19952.6 nM	Potency	via CMAUP

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.27%	96.09%
CHEMBL4040	P28482	MAP kinase ERK2	93.16%	83.82%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.09%	91.11%
CHEMBL2996	Q05655	Protein kinase C delta	84.44%	97.79%
CHEMBL226	P30542	Adenosine A1 receptor	83.61%	95.93%
CHEMBL253	P34972	Cannabinoid CB2 receptor	80.71%	97.25%
CHEMBL1937	Q92769	Histone deacetylase 2	80.49%	94.75%

Plants that contains it

• Artemisia cana
• Artemisia tridentata
• Mentha arvensis
• Mentha canadensis
• Tanacetum parthenium

Cross-Links

• PubChem: 110685
• NPASS: NPC62755
• ChEMBL: CHEMBL1318346
• LOTUS: LTS0181925
• wikiData: Q27155163