Camporidine B

Details

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Internal ID ec7e32fe-edc6-47a3-bb02-998e939a268a
Taxonomy Organoheterocyclic compounds > Epoxypiperidines
IUPAC Name (E)-4-[(1S,3R,4S,7S)-4-hexyl-6-hydroxy-2-oxa-6-azatricyclo[5.3.0.01,3]dec-8-en-10-ylidene]but-2-enoic acid
SMILES (Canonical) CCCCCCC1CN(C2C=CC(=CC=CC(=O)O)C23C1O3)O
SMILES (Isomeric) CCCCCC[C@H]1CN([C@H]2C=CC(=C/C=C/C(=O)O)[C@@]23[C@@H]1O3)O
InChI InChI=1S/C18H25NO4/c1-2-3-4-5-7-13-12-19(22)15-11-10-14(8-6-9-16(20)21)18(15)17(13)23-18/h6,8-11,13,15,17,22H,2-5,7,12H2,1H3,(H,20,21)/b9-6+,14-8?/t13-,15-,17+,18-/m0/s1
InChI Key HEOCGAUXAHXHLX-XSJMJMTMSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C18H25NO4
Molecular Weight 319.40 g/mol
Exact Mass 319.17835828 g/mol
Topological Polar Surface Area (TPSA) 73.30 Ų
XlogP 0.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Camporidine B

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
CHEMBL230 P35354 Cyclooxygenase-2 99.83% 89.63%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.14% 96.09%
CHEMBL2581 P07339 Cathepsin D 94.84% 98.95%
CHEMBL3359 P21462 Formyl peptide receptor 1 93.24% 93.56%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 92.33% 92.86%
CHEMBL221 P23219 Cyclooxygenase-1 92.06% 90.17%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 89.10% 91.81%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 89.01% 100.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.68% 99.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 88.37% 91.11%
CHEMBL253 P34972 Cannabinoid CB2 receptor 88.20% 97.25%
CHEMBL1821 P08173 Muscarinic acetylcholine receptor M4 87.06% 94.08%
CHEMBL4227 P25090 Lipoxin A4 receptor 85.95% 100.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.39% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.39% 95.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.10% 94.45%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 84.32% 95.50%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 84.21% 92.08%
CHEMBL218 P21554 Cannabinoid CB1 receptor 80.18% 96.61%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 145720860
LOTUS LTS0211690
wikiData Q105026944