2-(4,7-Dimethyl-1,2,3,5,6,8a-hexahydronaphthalen-1-yl)propan-2-ol

Details

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Internal ID 1bee5b4c-745e-44ca-8511-b2734c852a95
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 2-(4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalen-1-yl)propan-2-ol
SMILES (Canonical) CC1=CC2C(CCC(=C2CC1)C)C(C)(C)O
SMILES (Isomeric) CC1=CC2C(CCC(=C2CC1)C)C(C)(C)O
InChI InChI=1S/C15H24O/c1-10-5-7-12-11(2)6-8-14(13(12)9-10)15(3,4)16/h9,13-14,16H,5-8H2,1-4H3
InChI Key HUCBLFQXYARCGJ-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 2.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-(4,7-Dimethyl-1,2,3,5,6,8a-hexahydronaphthalen-1-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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.04% 91.11%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 86.02% 90.93%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.72% 95.56%
CHEMBL2581 P07339 Cathepsin D 84.25% 98.95%
CHEMBL3137262 O60341 LSD1/CoREST complex 82.13% 97.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 81.26% 97.25%

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.
Eupatorium serotinum

Cross-Links

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PubChem 162952101
LOTUS LTS0181124
wikiData Q105033721