(1R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene

Details

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Internal ID 44986902-aecb-4bbc-84d3-b6f71360481c
Taxonomy Hydrocarbons > Unsaturated hydrocarbons > Branched unsaturated hydrocarbons
IUPAC Name (1R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene
SMILES (Canonical) CC1CCC(C12CCC(=CC2)C)C(=C)C
SMILES (Isomeric) C[C@@H]1CCC(C12CCC(=CC2)C)C(=C)C
InChI InChI=1S/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h7,13-14H,1,5-6,8-10H2,2-4H3/t13-,14?,15?/m1/s1
InChI Key DVBSKQAFCDJNSL-WLYUNCDWSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H24
Molecular Weight 204.35 g/mol
Exact Mass 204.187800766 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 5.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (1R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-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
CHEMBL253 P34972 Cannabinoid CB2 receptor 92.74% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.58% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.49% 96.09%
CHEMBL241 Q14432 Phosphodiesterase 3A 86.20% 92.94%
CHEMBL1994 P08235 Mineralocorticoid receptor 86.14% 100.00%
CHEMBL1871 P10275 Androgen Receptor 84.64% 96.43%
CHEMBL1951 P21397 Monoamine oxidase A 84.40% 91.49%
CHEMBL4803 P29474 Nitric-oxide synthase, endothelial 83.71% 86.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.34% 95.56%

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.
Acorus calamus
Bazzania japonica
Bazzania trilobata
Centella asiatica
Cupressus bakeri
Marsupella aquatica
Metacalypogeia alternifolia
Reboulia hemisphaerica
Trilophozia quinquedentata
Widdringtonia whytei

Cross-Links

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PubChem 5316209
LOTUS LTS0247635
wikiData Q104989819