Zeaenol

Details

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Internal ID 964485f7-cd89-414c-9eec-24fa7dd83c72
Taxonomy Phenylpropanoids and polyketides > Macrolides and analogues
IUPAC Name (4S,6E,8S,9S,10S,12E)-8,9,10,18-tetrahydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-2-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,14-15,18,20-23H,5,8H2,1-2H3/b6-4+,7-3+/t11-,14-,15-,18+/m0/s1
InChI Key BPOLRDGTYHVUAY-YMFWJEOZSA-N
Popularity 7 references in papers

Physical and Chemical Properties

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Molecular Formula C19H24O7
Molecular Weight 364.40 g/mol
Exact Mass 364.15220310 g/mol
Topological Polar Surface Area (TPSA) 116.00 Ų
XlogP 2.20

Synonyms

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CHEBI:67556
Antibiotic LL Z1640-4
MLS004257365
CHEMBL1099228
SCHEMBL18290227
66018-41-5
BDBM50347544
SMR003082500
Q27136021
(2E,5S,6S,7S,8E,11S)-5,6,7,15-tetrahydroxy-17-methoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,8,15,17-pentaen-13-one
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Zeaenol

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 98.94% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 98.14% 85.14%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 95.48% 91.07%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.99% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.30% 94.00%
CHEMBL2535 P11166 Glucose transporter 90.87% 98.75%
CHEMBL2581 P07339 Cathepsin D 90.30% 98.95%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 90.28% 99.15%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.23% 97.09%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 89.17% 99.23%
CHEMBL4208 P20618 Proteasome component C5 87.76% 90.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.28% 96.09%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.74% 89.00%
CHEMBL1951 P21397 Monoamine oxidase A 85.26% 91.49%
CHEMBL3401 O75469 Pregnane X receptor 84.30% 94.73%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.17% 95.89%
CHEMBL2964 P36507 Dual specificity mitogen-activated protein kinase kinase 2 84.13% 80.00%
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 84.12% 82.67%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 83.83% 95.89%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 83.12% 97.14%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.94% 86.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.80% 99.17%

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 46888372
LOTUS LTS0057309
wikiData Q27136021