Rancinamycin IB

Details

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Internal ID 019b13e7-f86f-45b7-a50f-3ddb77d2fff5
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters
IUPAC Name (2-formyl-4,5,6-trihydroxycyclohex-2-en-1-yl) butanoate
SMILES (Canonical) CCCC(=O)OC1C(C(C(C=C1C=O)O)O)O
SMILES (Isomeric) CCCC(=O)OC1C(C(C(C=C1C=O)O)O)O
InChI InChI=1S/C11H16O6/c1-2-3-8(14)17-11-6(5-12)4-7(13)9(15)10(11)16/h4-5,7,9-11,13,15-16H,2-3H2,1H3
InChI Key OUTLGHADESIIQU-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C11H16O6
Molecular Weight 244.24 g/mol
Exact Mass 244.09468823 g/mol
Topological Polar Surface Area (TPSA) 104.00 Ų
XlogP -1.50

Synonyms

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UNII-605Y8F1N9T
605Y8F1N9T
60925-58-8
Butanoic acid, 2-formyl-4,5,6-trihydroxy-2-cyclohexen-1-yl ester
Q27263166

2D Structure

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2D Structure of Rancinamycin IB

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
CHEMBL4040 P28482 MAP kinase ERK2 98.42% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.57% 96.09%
CHEMBL2581 P07339 Cathepsin D 91.50% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.34% 91.11%
CHEMBL221 P23219 Cyclooxygenase-1 88.57% 90.17%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.24% 99.17%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.93% 95.56%

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 71587211
LOTUS LTS0102221
wikiData Q27263166