Longiborneol

Details

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Internal ID c6323643-761c-404c-8a5e-3fdaf64876c1
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids
IUPAC Name 2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-8-ol
SMILES (Canonical) CC1(CCCC2(C3C1C(C2(CC3)C)O)C)C
SMILES (Isomeric) CC1(CCCC2(C3C1C(C2(CC3)C)O)C)C
InChI InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)10-6-9-15(14,4)12(16)11(10)13/h10-12,16H,5-9H2,1-4H3
InChI Key MNNFKQAYXGEKFA-UHFFFAOYSA-N
Popularity 11 references in papers

Physical and Chemical Properties

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Molecular Formula C15H26O
Molecular Weight 222.37 g/mol
Exact Mass 222.198365449 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 4.50

Synonyms

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decahydro-1,5,5,8a-tetramethyl-1,4-methanoazulen-9-ol
465-24-7
MNNFKQAYXGEKFA-UHFFFAOYSA-N
2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-8-ol
1,4-Methanoazulen-9-ol, decahydro-1,5,5,8a-tetramethyl-, [1R-(1.alpha. ..

2D Structure

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2D Structure of Longiborneol

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 94.83% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.65% 96.09%
CHEMBL1994 P08235 Mineralocorticoid receptor 88.44% 100.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 88.10% 91.11%
CHEMBL241 Q14432 Phosphodiesterase 3A 84.33% 92.94%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.89% 97.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.49% 95.89%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 81.99% 82.69%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 81.65% 95.50%
CHEMBL1871 P10275 Androgen Receptor 81.18% 96.43%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 80.00% 93.04%

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 argyi
Cedrus libani
Chiloscyphus pallescens
Cupressus macrocarpa
Pinus densiflora

Cross-Links

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PubChem 521200
LOTUS LTS0025924
wikiData Q105168479