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Michaolide H

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID 80a3bcb9-0085-410d-852c-9d3ab86c48b9
Taxonomy Phenylpropanoids and polyketides > Macrolides and analogues
IUPAC Name [(1S,2S,4S,5R,7E,9S,11E,14R,15R,16R)-5,14-diacetyloxy-16-(methoxymethyl)-4,8,12-trimethyl-17-oxo-3,18-dioxatricyclo[13.3.0.02,4]octadeca-7,11-dien-9-yl] acetate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C27H38O10/c1-14-8-10-20(33-16(3)28)15(2)9-11-22(35-18(5)30)27(6)25(37-27)24-23(21(12-14)34-17(4)29)19(13-32-7)26(31)36-24/h8-9,19-25H,10-13H2,1-7H3/b14-8+,15-9+/t19-,20-,21+,22+,23+,24-,25-,27-/m0/s1
InChI Key OCEBYVKMYIOKNW-ZPWOZIFKSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C27H38O10
Molecular Weight 522.60 g/mol
Exact Mass 522.24649740 g/mol
Topological Polar Surface Area (TPSA) 127.00 Ų
XlogP 1.70

Synonyms

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CHEBI:66381
(1aS,1bS,4R,4aR,5R,7E,10S,11E,14R,14aS)-4-(methoxymethyl)-7,11,14a-trimethyl-3-oxo-1a,1b,3,4,4a,5,6,9,10,13,14,14a-dodecahydrooxireno[13,14]cyclotetradeca[1,2-b]furan-5,10,14-triyl triacetate
[(1S,2S,4S,5R,7E,9S,11E,14R,15R,16R)-5,14-diacetyloxy-16-(methoxymethyl)-4,8,12-trimethyl-17-oxo-3,18-dioxatricyclo[13.3.0.02,4]octadeca-7,11-dien-9-yl] acetate
((1R,2R,4R,5S,7E,9R,11E,14S,15S,16S)-5,14-diacetyloxy-16-(methoxymethyl)-4,8,12-trimethyl-17-oxo-3,18-dioxatricyclo(13.3.0.02,4)octadeca-7,11-dien-9-yl) acetate
((1S,2S,4S,5R,7E,9S,11E,14R,15R,16R)-5,14-diacetyloxy-16-(methoxymethyl)-4,8,12-trimethyl-17-oxo-3,18-dioxatricyclo(13.3.0.02,4)octadeca-7,11-dien-9-yl) acetate
(1aS,1bS,4R,4aR,5R,7E,10S,11E,14R,14aS)-4-(methoxymethyl)-7,11,14a-trimethyl-3-oxo-1a,1b,3,4,4a,5,6,9,10,13,14,14a-dodecahydrooxireno(13,14)cyclotetradeca(1,2-b)furan-5,10,14-triyl triacetate
[(1R,2R,4R,5S,7E,9R,11E,14S,15S,16S)-5,14-diacetyloxy-16-(methoxymethyl)-4,8,12-trimethyl-17-oxo-3,18-dioxatricyclo[13.3.0.02,4]octadeca-7,11-dien-9-yl] acetate
RefChem:158502
Q27134935

2D Structure

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2D Structure of Michaolide H

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
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 99.29% 85.14%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.27% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.95% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 97.42% 94.45%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.59% 86.33%
CHEMBL2581 P07339 Cathepsin D 88.28% 98.95%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 85.54% 94.00%
CHEMBL253 P34972 Cannabinoid CB2 receptor 83.56% 97.25%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.33% 89.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 81.35% 99.23%
CHEMBL3401 O75469 Pregnane X receptor 81.27% 94.73%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 80.54% 94.33%

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 16723570
LOTUS LTS0184820
wikiData Q27134935