9-Methylthio-2,4,8-decatriene-6-yn-4-olide

Details

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Internal ID 0edc3042-bee7-4362-b1df-5a2eaf5df0fd
Taxonomy Organoheterocyclic compounds > Dihydrofurans > Furanones > Butenolides
IUPAC Name 5-(5-methylsulfanylhex-4-en-2-ynylidene)furan-2-one
SMILES (Canonical) CC(=CC#CC=C1C=CC(=O)O1)SC
SMILES (Isomeric) CC(=CC#CC=C1C=CC(=O)O1)SC
InChI InChI=1S/C11H10O2S/c1-9(14-2)5-3-4-6-10-7-8-11(12)13-10/h5-8H,1-2H3
InChI Key SAUCIODDYUECKP-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C11H10O2S
Molecular Weight 206.26 g/mol
Exact Mass 206.04015073 g/mol
Topological Polar Surface Area (TPSA) 51.60 Ų
XlogP 2.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 9-Methylthio-2,4,8-decatriene-6-yn-4-olide

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
CHEMBL2581 P07339 Cathepsin D 91.09% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.56% 91.11%
CHEMBL3401 O75469 Pregnane X receptor 89.75% 94.73%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.87% 95.56%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 82.27% 99.23%

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.
Cota triumfetti

Cross-Links

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PubChem 129685391
LOTUS LTS0080272
wikiData Q105249151