Gibbilimbol A

Details

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Internal ID da2683cd-1eb4-42e7-9f3d-fe845d7e33c7
Taxonomy Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids
IUPAC Name 4-[(E)-dec-4-enyl]phenol
SMILES (Canonical) CCCCCC=CCCCC1=CC=C(C=C1)O
SMILES (Isomeric) CCCCC/C=C/CCCC1=CC=C(C=C1)O
InChI InChI=1S/C16H24O/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(17)14-12-15/h6-7,11-14,17H,2-5,8-10H2,1H3/b7-6+
InChI Key LMJPVRXXPPOFAM-VOTSOKGWSA-N
Popularity 5 references in papers

Physical and Chemical Properties

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Molecular Formula C16H24O
Molecular Weight 232.36 g/mol
Exact Mass 232.182715385 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 5.80

Synonyms

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4-[(E)-dec-4-enyl]phenol
CHEMBL503936
LMJPVRXXPPOFAM-VOTSOKGWSA-N

2D Structure

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2D Structure of Gibbilimbol A

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 97.77% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 96.03% 99.17%
CHEMBL242 Q92731 Estrogen receptor beta 95.28% 98.35%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 94.24% 92.08%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.16% 96.09%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 89.62% 100.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 87.28% 91.11%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 86.84% 96.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.38% 94.45%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 85.28% 91.71%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.27% 86.33%
CHEMBL3401 O75469 Pregnane X receptor 84.06% 94.73%
CHEMBL3230 O95977 Sphingosine 1-phosphate receptor Edg-6 83.53% 94.01%
CHEMBL240 Q12809 HERG 83.05% 89.76%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 82.76% 92.86%

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.
Piper gibbilimbum

Cross-Links

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PubChem 10263365
LOTUS LTS0083842
wikiData Q104251553