7-(2-Hydroxypropan-2-yl)-4-methyl-10-methylidenecyclodec-5-en-1-one

Details

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Internal ID 11a44333-d072-4d1e-9f31-f6056c0af0a6
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids
IUPAC Name 7-(2-hydroxypropan-2-yl)-4-methyl-10-methylidenecyclodec-5-en-1-one
SMILES (Canonical) CC1CCC(=O)C(=C)CCC(C=C1)C(C)(C)O
SMILES (Isomeric) CC1CCC(=O)C(=C)CCC(C=C1)C(C)(C)O
InChI InChI=1S/C15H24O2/c1-11-5-8-13(15(3,4)17)9-7-12(2)14(16)10-6-11/h5,8,11,13,17H,2,6-7,9-10H2,1,3-4H3
InChI Key RJCCYTWCDOEWGM-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H24O2
Molecular Weight 236.35 g/mol
Exact Mass 236.177630004 g/mol
Topological Polar Surface Area (TPSA) 37.30 Ų
XlogP 2.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 7-(2-Hydroxypropan-2-yl)-4-methyl-10-methylidenecyclodec-5-en-1-one

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
CHEMBL253 P34972 Cannabinoid CB2 receptor 97.45% 97.25%
CHEMBL2581 P07339 Cathepsin D 92.84% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.51% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.51% 95.56%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 84.93% 93.04%
CHEMBL4040 P28482 MAP kinase ERK2 83.93% 83.82%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.26% 100.00%
CHEMBL241 Q14432 Phosphodiesterase 3A 81.22% 92.94%

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.
Eucalyptus globulus
Litsea verticillata

Cross-Links

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PubChem 85107178
LOTUS LTS0136006
wikiData Q105237359