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Latrunculol B

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 e11da306-9478-40ab-8f82-c6f45c6b5288
Taxonomy Phenylpropanoids and polyketides > Macrolides and analogues
IUPAC Name (4R)-4-[(1R,4Z,8S,9S,10Z,12S,15R,17R)-8,17-dihydroxy-9-methoxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,10-dien-17-yl]-1,3-thiazolidin-2-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C23H35NO7S/c1-14-4-7-16-11-17(12-23(28,31-16)20-13-32-22(27)24-20)30-21(26)10-15(2)5-8-18(25)19(29-3)9-6-14/h6,9-10,14,16-20,25,28H,4-5,7-8,11-13H2,1-3H3,(H,24,27)/b9-6-,15-10-/t14-,16+,17+,18-,19-,20-,23+/m0/s1
InChI Key OIRNCQGGSINBCB-QFSORZBASA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C23H35NO7S
Molecular Weight 469.60 g/mol
Exact Mass 469.21342363 g/mol
Topological Polar Surface Area (TPSA) 140.00 Ų
XlogP 2.10

Synonyms

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CHEBI:69129
CHEMBL485737
Q27137469
(4R)-4-[(1R,4Z,8S,9S,10Z,12S,15R,17R)-8,17-Dihydroxy-9-methoxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,10-dien-17-yl]-1,3-thiazolidin-2-one

2D Structure

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2D Structure of Latrunculol 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
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 99.00% 85.14%
CHEMBL253 P34972 Cannabinoid CB2 receptor 96.63% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.44% 91.11%
CHEMBL3137262 O60341 LSD1/CoREST complex 94.21% 97.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.63% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.19% 96.09%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 91.43% 99.23%
CHEMBL1871 P10275 Androgen Receptor 89.45% 96.43%
CHEMBL241 Q14432 Phosphodiesterase 3A 88.37% 92.94%
CHEMBL230 P35354 Cyclooxygenase-2 86.57% 89.63%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.10% 94.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.02% 95.89%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 85.70% 91.07%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.51% 100.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.82% 89.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.42% 86.33%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 80.26% 97.14%
CHEMBL3401 O75469 Pregnane X receptor 80.11% 94.73%

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 25150346
LOTUS LTS0127572
wikiData Q27137469