(R,R)-chrysanthemol

Details

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Internal ID ee6ce6ca-3a28-484b-bd1f-195cd22d92a0
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Monocyclic monoterpenoids
IUPAC Name [(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanol
SMILES (Canonical) CC(=CC1C(C1(C)C)CO)C
SMILES (Isomeric) CC(=C[C@@H]1[C@H](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/t8-,9-/m1/s1
InChI Key HIPIENNKVJCMAP-RKDXNWHRSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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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

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(1R,3R)-Chrysanthemol
JU6FV4QD33
Chrysanthemol, (1R,3R)-
1R,3R-Chrysanthemyl alcohol
trans-(+)-Chrysanthemyl alcohol
UNII-JU6FV4QD33
32989-74-5
Cyclopropanemethanol, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1R,3R)-
Cyclopropanemethanol, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1R-trans)-
SCHEMBL10992837
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of (R,R)-chrysanthemol

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
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 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

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Artemisia cana subsp. viscidula
Artemisia tridentata
Tanacetum parthenium

Cross-Links

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PubChem 2724508
LOTUS LTS0029645
wikiData Q74417774