Norbornane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-

Details

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Internal ID 4df4a557-d4bd-4105-a4b3-fceb32f702b0
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 2-methyl-3-methylidene-2-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H24/c1-11(2)6-5-9-15(4)12(3)13-7-8-14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3
InChI Key PGBNIHXXFQBCPU-UHFFFAOYSA-N
Popularity 10 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 5.30

Synonyms

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RefChem:1092574
2-methyl-3-methylidene-2-(4-methylpent-3-enyl)bicyclo(2.2.1)heptane
b-Santalene
(+)-Epi-beta-Santalene
UNII-RG725C564C
2-Methyl-3-methylene-2-(4-methyl-3-pentenyl)bicyclo[2.2.1]heptane #
SCHEMBL10979463
Bicyclo[2.2.1]heptane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-, (1S-endo)-

2D Structure

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2D Structure of Norbornane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-

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 93.35% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.13% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.84% 94.45%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.99% 100.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 84.58% 97.09%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 83.95% 95.50%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.18% 95.89%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 81.19% 95.89%
CHEMBL226 P30542 Adenosine A1 receptor 80.11% 95.93%

Cross-Links

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PubChem 10534
NPASS NPC117416
LOTUS LTS0243976
wikiData Q103816331