Procerin

Details

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Internal ID acae404a-41fe-48a6-b8d3-b593f1f47508
Taxonomy Hydrocarbon derivatives > Tropones > Tropolones
IUPAC Name 2-hydroxy-5-(3-methylbut-2-enyl)-6-prop-1-en-2-ylcyclohepta-2,4,6-trien-1-one
SMILES (Canonical) CC(=CCC1=CC=C(C(=O)C=C1C(=C)C)O)C
SMILES (Isomeric) CC(=CCC1=CC=C(C(=O)C=C1C(=C)C)O)C
InChI InChI=1S/C15H18O2/c1-10(2)5-6-12-7-8-14(16)15(17)9-13(12)11(3)4/h5,7-9H,3,6H2,1-2,4H3,(H,16,17)
InChI Key JGONUWOERJCFMF-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C15H18O2
Molecular Weight 230.30 g/mol
Exact Mass 230.130679813 g/mol
Topological Polar Surface Area (TPSA) 37.30 Ų
XlogP 3.90

Synonyms

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Procerin [MI]
Procerin (tropolone)
552-96-5
UNII-GE92PBK71X
GE92PBK71X
2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-(3-methyl-2-buten-1-yl)-4-(1-methylethenyl)-
2-Hydroxy-5-(3-methyl-2-butenyl)-4-(1-methylethenyl)-2,4,6-cycloheptatrien-1-one
SCHEMBL5437835
DTXSID30344126
JGONUWOERJCFMF-UHFFFAOYSA-N
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Procerin

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 98.70% 91.11%
CHEMBL2581 P07339 Cathepsin D 94.65% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.92% 94.45%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.67% 95.56%
CHEMBL4040 P28482 MAP kinase ERK2 89.58% 83.82%
CHEMBL1951 P21397 Monoamine oxidase A 89.52% 91.49%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.63% 86.33%
CHEMBL3401 O75469 Pregnane X receptor 88.06% 94.73%
CHEMBL1929 P47989 Xanthine dehydrogenase 86.13% 96.12%
CHEMBL1937 Q92769 Histone deacetylase 2 86.00% 94.75%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 82.05% 85.14%

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.
Juniperus procera

Cross-Links

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PubChem 594578
LOTUS LTS0178126
wikiData Q27279055