8a-Methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-ol

Details

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Internal ID 4765c6fb-ffad-4381-8509-b172dddd98ab
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
IUPAC Name 8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H24O/c1-10(2)12-8-13-11(3)6-5-7-15(13,4)14(16)9-12/h12-14,16H,1,3,5-9H2,2,4H3
InChI Key BFMDGLARCCRBDW-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 3.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 8a-Methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-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 96.24% 97.25%
CHEMBL4040 P28482 MAP kinase ERK2 96.03% 83.82%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.02% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 92.44% 91.49%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.05% 96.09%
CHEMBL1994 P08235 Mineralocorticoid receptor 86.42% 100.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.06% 97.09%
CHEMBL1977 P11473 Vitamin D receptor 85.62% 99.43%
CHEMBL221 P23219 Cyclooxygenase-1 84.52% 90.17%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 84.32% 82.69%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 81.64% 95.50%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 80.51% 85.14%
CHEMBL2061 P19793 Retinoid X receptor alpha 80.44% 91.67%

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.
Ratibida mexicana

Cross-Links

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PubChem 78409371
LOTUS LTS0202897
wikiData Q104934462