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Laulimalide

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 dad793fd-94f8-45ec-8aa4-216501498551
Taxonomy Phenylpropanoids and polyketides > Macrolides and analogues
IUPAC Name (1R,3S,7S,8S,10S,12S,15Z,18R)-7-hydroxy-12-[(E,1S)-1-hydroxy-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]prop-2-enyl]-3-methyl-5-methylidene-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C30H42O7/c1-19-12-13-34-23(15-19)10-11-25(31)27-18-28-30(37-28)26(32)17-21(3)14-20(2)16-24-8-4-6-22(35-24)7-5-9-29(33)36-27/h4-6,9-12,20,22-28,30-32H,3,7-8,13-18H2,1-2H3/b9-5-,11-10+/t20-,22-,23+,24-,25-,26-,27-,28-,30-/m0/s1
InChI Key MSBQEQDLFWWWMV-XZZGLLCESA-N
Popularity 87 references in papers

Physical and Chemical Properties

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Molecular Formula C30H42O7
Molecular Weight 514.60 g/mol
Exact Mass 514.29305367 g/mol
Topological Polar Surface Area (TPSA) 97.80 Ų
XlogP 3.20

Synonyms

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Fijianolide B
115268-43-4
CHEBI:69134
(1R,3S,7S,8S,10S,12S,15Z,18R)-12-[(1S,2E)-3-[(2S)-3,6-dihydro-4-methyl-2H-pyran-2-yl]-1-hydroxy-2-propen-1-yl]-7-hydroxy-3-methyl-5-methylene-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one
(1R,3S,7S,8S,10S,12S,18R,Z)-7-hydroxy-12-((S,E)-1-hydroxy-3-((S)-4-methyl-3,6-dihydro-2H-pyran-2-yl)allyl)-3-methyl-5-methylene-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one
(-)-Laulimalide
CHEMBL155405
SCHEMBL13404885
DTXSID10893501
AKOS037435215
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Laulimalide

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.18% 95.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 92.34% 85.14%
CHEMBL253 P34972 Cannabinoid CB2 receptor 90.74% 97.25%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.16% 89.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.95% 91.11%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 87.03% 90.71%
CHEMBL3401 O75469 Pregnane X receptor 87.03% 94.73%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.70% 96.09%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 85.95% 97.21%
CHEMBL4208 P20618 Proteasome component C5 85.54% 90.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.54% 86.33%
CHEMBL1994 P08235 Mineralocorticoid receptor 83.61% 100.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 82.10% 97.09%
CHEMBL4803 P29474 Nitric-oxide synthase, endothelial 80.73% 86.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 80.26% 99.23%

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 6918457
LOTUS LTS0124054
wikiData Q27137474