Abybetaomicin G

Details

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Internal ID 903f3aed-32ba-4548-aa22-f0095eb17d55
Taxonomy Organoheterocyclic compounds > Oxanes
IUPAC Name (1R,2R,3R,4Z,7S,9R,14R,16R)-2-hydroxy-4-hydroxyimino-7,9,16-trimethyl-13,17-dioxatetracyclo[9.5.2.03,14.014,18]octadec-11(18)-ene-6,10,12-trione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C19H23NO7/c1-7-4-8(2)14(22)12-17-19(27-18(12)24)6-9(3)16(26-17)15(23)13(19)10(20-25)5-11(7)21/h7-9,13,15-16,23,25H,4-6H2,1-3H3/b20-10-/t7-,8+,9+,13+,15+,16+,19+/m0/s1
InChI Key FHTFDKWORXYZHH-DYBYUKMXSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C19H23NO7
Molecular Weight 377.40 g/mol
Exact Mass 377.14745207 g/mol
Topological Polar Surface Area (TPSA) 122.00 Ų
XlogP 1.00

Synonyms

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Abybetaomicin G
CHEBI:208038
(1R,2R,3R,4Z,7S,9R,14R,16R)-2-hydroxy-4-hydroxyimino-7,9,16-trimethyl-13,17-dioxatetracyclo[9.5.2.03,14.014,18]octadec-11(18)-ene-6,10,12-trione

2D Structure

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2D Structure of Abybetaomicin G

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 94.03% 91.11%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 91.53% 99.23%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.48% 97.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.03% 95.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 89.92% 85.14%
CHEMBL253 P34972 Cannabinoid CB2 receptor 89.03% 97.25%
CHEMBL1951 P21397 Monoamine oxidase A 88.13% 91.49%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.41% 96.09%
CHEMBL2581 P07339 Cathepsin D 86.94% 98.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 82.94% 89.00%
CHEMBL221 P23219 Cyclooxygenase-1 82.24% 90.17%
CHEMBL2535 P11166 Glucose transporter 82.11% 98.75%
CHEMBL1994 P08235 Mineralocorticoid receptor 81.55% 100.00%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 80.95% 97.14%
CHEMBL230 P35354 Cyclooxygenase-2 80.83% 89.63%

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.
There are no matching plants.

Cross-Links

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PubChem 163062503
LOTUS LTS0071594
wikiData Q104995457