2-Methyl-5-prop-1-en-2-ylcyclohexa-2,4-dien-1-ol

Details

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Internal ID 6da092fe-fbd2-4c50-9d5e-c0a43cda1f9f
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Menthane monoterpenoids
IUPAC Name 2-methyl-5-prop-1-en-2-ylcyclohexa-2,4-dien-1-ol
SMILES (Canonical) CC1=CC=C(CC1O)C(=C)C
SMILES (Isomeric) CC1=CC=C(CC1O)C(=C)C
InChI InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-5,10-11H,1,6H2,2-3H3
InChI Key SUSDZWDMNJCYTN-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C10H14O
Molecular Weight 150.22 g/mol
Exact Mass 150.104465066 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 1.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-Methyl-5-prop-1-en-2-ylcyclohexa-2,4-dien-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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.83% 96.09%
CHEMBL1951 P21397 Monoamine oxidase A 89.48% 91.49%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.27% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.83% 95.56%

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.
Elsholtzia ciliata
Mosla chinensis

Cross-Links

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PubChem 527142
NPASS NPC117484