2-(4a-Methyl-8-methylidene-1,2,3,4,5,8a-hexahydronaphthalen-2-yl)propan-2-ol

Details

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Internal ID 69eb5215-99ed-4d2a-ad47-92be7de7dd02
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 2-(4a-methyl-8-methylidene-1,2,3,4,5,8a-hexahydronaphthalen-2-yl)propan-2-ol
SMILES (Canonical) CC12CCC(CC1C(=C)C=CC2)C(C)(C)O
SMILES (Isomeric) CC12CCC(CC1C(=C)C=CC2)C(C)(C)O
InChI InChI=1S/C15H24O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h5-6,12-13,16H,1,7-10H2,2-4H3
InChI Key LCAVWJONSITSBE-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H24O
Molecular Weight 220.35 g/mol
Exact Mass 220.182715385 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 3.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-(4a-Methyl-8-methylidene-1,2,3,4,5,8a-hexahydronaphthalen-2-yl)propan-2-ol

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 98.46% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.07% 91.11%
CHEMBL2996 Q05655 Protein kinase C delta 94.99% 97.79%
CHEMBL1871 P10275 Androgen Receptor 90.81% 96.43%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.72% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.92% 97.09%
CHEMBL1994 P08235 Mineralocorticoid receptor 86.12% 100.00%
CHEMBL2581 P07339 Cathepsin D 85.86% 98.95%
CHEMBL1977 P11473 Vitamin D receptor 84.59% 99.43%
CHEMBL4040 P28482 MAP kinase ERK2 83.80% 83.82%
CHEMBL216 P11229 Muscarinic acetylcholine receptor M1 82.32% 94.23%
CHEMBL4227 P25090 Lipoxin A4 receptor 81.20% 100.00%
CHEMBL3920 Q04759 Protein kinase C theta 80.36% 97.69%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 80.14% 97.14%

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 campestris

Cross-Links

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PubChem 163013357
LOTUS LTS0216416
wikiData Q105149730