(2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran

Details

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Internal ID 0351131e-4f0e-436a-b062-ae0c5f05d82a
Taxonomy Organoheterocyclic compounds > Pyrans
IUPAC Name (2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran
SMILES (Canonical) CC1=CCOC(C1)C=C(C)C
SMILES (Isomeric) CC1=CCO[C@@H](C1)C=C(C)C
InChI InChI=1S/C10H16O/c1-8(2)6-10-7-9(3)4-5-11-10/h4,6,10H,5,7H2,1-3H3/t10-/m1/s1
InChI Key FRISMOQHTLZZRP-SNVBAGLBSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C10H16O
Molecular Weight 152.23 g/mol
Exact Mass 152.120115130 g/mol
Topological Polar Surface Area (TPSA) 9.20 Ų
XlogP 2.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran

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 88.16% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.22% 96.09%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 86.28% 97.21%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.77% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.50% 89.00%
CHEMBL1994 P08235 Mineralocorticoid receptor 80.84% 100.00%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.24% 96.95%

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.
Dactylanthus taylorii
Thymus camphoratus

Cross-Links

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PubChem 11062576
LOTUS LTS0174639
wikiData Q105000188