(2R,5R,9S,10R)-2-ethenyl-2,6,9,10-tetramethyl-1-oxaspiro[4.5]dec-6-ene

Details

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Internal ID 9ead92d5-eabf-4e5b-afc4-7797bf2a37eb
Taxonomy Organoheterocyclic compounds > Oxolanes
IUPAC Name (2R,5R,9S,10R)-2-ethenyl-2,6,9,10-tetramethyl-1-oxaspiro[4.5]dec-6-ene
SMILES (Canonical) CC1CC=C(C2(C1C)CCC(O2)(C)C=C)C
SMILES (Isomeric) C[C@H]1CC=C([C@]2([C@@H]1C)CC[C@](O2)(C)C=C)C
InChI InChI=1S/C15H24O/c1-6-14(5)9-10-15(16-14)12(3)8-7-11(2)13(15)4/h6,8,11,13H,1,7,9-10H2,2-5H3/t11-,13+,14-,15-/m0/s1
InChI Key CVZXLAAMZXBCMM-ATGSNQNLSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H24O
Molecular Weight 220.35 g/mol
Exact Mass 220.182715385 g/mol
Topological Polar Surface Area (TPSA) 9.20 Ų
XlogP 3.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2R,5R,9S,10R)-2-ethenyl-2,6,9,10-tetramethyl-1-oxaspiro[4.5]dec-6-ene

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.92% 91.11%
CHEMBL4803 P29474 Nitric-oxide synthase, endothelial 89.91% 86.00%
CHEMBL1937 Q92769 Histone deacetylase 2 85.16% 94.75%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.42% 95.56%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.59% 100.00%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 10998571
LOTUS LTS0094365
wikiData Q104971111