Spiroalbatene

Details

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Internal ID 1d89d525-6356-4d4a-ae48-0792418f9fc1
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name (1S,10S,11R,14S)-4,6,14-trimethyl-11-propan-2-yltetracyclo[8.4.0.01,5.04,9]tetradec-6-ene
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H32/c1-12(2)15-8-7-14(4)20-11-10-19(5)16(17(15)20)9-6-13(3)18(19)20/h6,12,14-18H,7-11H2,1-5H3/t14-,15+,16?,17-,18?,19?,20-/m0/s1
InChI Key XZXQKVKQRPCDPA-KZFKHOFZSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C20H32
Molecular Weight 272.50 g/mol
Exact Mass 272.250401021 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 6.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Spiroalbatene

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 95.28% 97.25%
CHEMBL4803 P29474 Nitric-oxide synthase, endothelial 89.89% 86.00%
CHEMBL1937 Q92769 Histone deacetylase 2 88.31% 94.75%
CHEMBL1871 P10275 Androgen Receptor 87.64% 96.43%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.51% 96.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.47% 95.89%
CHEMBL4072 P07858 Cathepsin B 86.20% 93.67%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.78% 100.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.44% 95.56%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 85.38% 94.80%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 85.17% 96.38%
CHEMBL3359 P21462 Formyl peptide receptor 1 83.47% 93.56%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.12% 90.71%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 81.77% 91.11%
CHEMBL3137262 O60341 LSD1/CoREST complex 80.61% 97.09%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 80.06% 82.69%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 139591536
LOTUS LTS0125349
wikiData Q105345246