1,5-Dimethyl-8-prop-1-en-2-yltricyclo[5.3.0.02,6]decane

Details

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Internal ID 5fe4297c-5a26-45e8-9bdf-5db432f55b09
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 1,5-dimethyl-8-prop-1-en-2-yltricyclo[5.3.0.02,6]decane
SMILES (Canonical) CC1CCC2C1C3C2(CCC3C(=C)C)C
SMILES (Isomeric) CC1CCC2C1C3C2(CCC3C(=C)C)C
InChI InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)13(12)14(11)15/h10-14H,1,5-8H2,2-4H3
InChI Key KZVOHANKAKKFOK-UHFFFAOYSA-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 5.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1,5-Dimethyl-8-prop-1-en-2-yltricyclo[5.3.0.02,6]decane

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
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 95.35% 96.38%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.19% 96.09%
CHEMBL218 P21554 Cannabinoid CB1 receptor 90.96% 96.61%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.48% 91.11%
CHEMBL4040 P28482 MAP kinase ERK2 88.94% 83.82%
CHEMBL241 Q14432 Phosphodiesterase 3A 87.65% 92.94%
CHEMBL253 P34972 Cannabinoid CB2 receptor 87.62% 97.25%
CHEMBL233 P35372 Mu opioid receptor 87.16% 97.93%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 86.93% 93.04%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.36% 100.00%
CHEMBL206 P03372 Estrogen receptor alpha 82.65% 97.64%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 81.56% 82.69%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 80.48% 92.86%
CHEMBL3137262 O60341 LSD1/CoREST complex 80.47% 97.09%

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.
Frullania tamarisci
Tritomaria quinquedentata

Cross-Links

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PubChem 85157423
LOTUS LTS0210560
wikiData Q104170745