Isocamphane

Details

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Internal ID 7a0ddbf6-d646-498d-824e-daf1fffafb4e
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids
IUPAC Name 2,2,3-trimethylbicyclo[2.2.1]heptane
SMILES (Canonical) CC1C2CCC(C2)C1(C)C
SMILES (Isomeric) CC1C2CCC(C2)C1(C)C
InChI InChI=1S/C10H18/c1-7-8-4-5-9(6-8)10(7,2)3/h7-9H,4-6H2,1-3H3
InChI Key XETQTCAMTVHYPO-UHFFFAOYSA-N
Popularity 55 references in papers

Physical and Chemical Properties

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Molecular Formula C10H18
Molecular Weight 138.25 g/mol
Exact Mass 138.140850574 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 3.90

Synonyms

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Iso-camphane
473-19-8
2,2,3-Trimethylbicyclo[2.2.1]heptane
endo-Isocamphane
Norbornane, 2,2,3-trimethyl-, endo-
NSC167447
endo-2,2,3-Trimethylbicyclo[2.2.1]heptane
2,2,3-Trimethylbicyclo[2.2.1]heptane, endo
Bicyclo[2.2.1]heptane, 2,2,3-trimethyl-, endo-
2,2,3-Trimethylnorbornan
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Isocamphane

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 93.12% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.20% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.12% 97.09%
CHEMBL6136 O60341 Lysine-specific histone demethylase 1 89.67% 95.58%
CHEMBL241 Q14432 Phosphodiesterase 3A 83.74% 92.94%
CHEMBL3045 P05771 Protein kinase C beta 83.30% 97.63%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 82.01% 82.69%
CHEMBL1907601 P11802 Cyclin-dependent kinase 4/cyclin D1 81.28% 98.99%
CHEMBL2996 Q05655 Protein kinase C delta 80.76% 97.79%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 80.22% 96.77%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 80.13% 91.11%

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.
Artemisia vulgaris

Cross-Links

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PubChem 296894
LOTUS LTS0134167
wikiData Q82051042