CID 522276

Details

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Internal ID ac61c5bf-da90-4cb8-b47b-8bd3afaa4b86
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Bicyclogermacrane and isolepidozane sesquiterpenoids
IUPAC Name 3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene
SMILES (Canonical) CC1=CCCC(=CC2C(C2(C)C)CC1)C
SMILES (Isomeric) CC1=CCCC(=CC2C(C2(C)C)CC1)C
InChI InChI=1S/C15H24/c1-11-6-5-7-12(2)10-14-13(9-8-11)15(14,3)4/h6,10,13-14H,5,7-9H2,1-4H3
InChI Key VPDZRSSKICPUEY-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 4.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of CID 522276

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 94.23% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.09% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.21% 96.09%
CHEMBL1994 P08235 Mineralocorticoid receptor 86.51% 100.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.65% 95.56%
CHEMBL4803 P29474 Nitric-oxide synthase, endothelial 83.17% 86.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.13% 97.09%
CHEMBL2996 Q05655 Protein kinase C delta 82.87% 97.79%
CHEMBL1871 P10275 Androgen Receptor 82.03% 96.43%
CHEMBL221 P23219 Cyclooxygenase-1 81.90% 90.17%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.91% 95.89%

Cross-Links

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PubChem 522276
LOTUS LTS0249608
wikiData Q104199670