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Sendanolactone

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 546d09a3-5f71-403a-ac4d-2f1b178c5dab
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Triterpenoids
IUPAC Name (2S,4S,7R,8S,9S,12R,13R,18R)-2,9,13,17,17-pentamethyl-7-(4-methylpent-3-enyl)-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-1(20)-ene-6,16,19-trione
SMILES (Canonical) CC(=CCCC1C2C(CC3(C2(CCC4C3=CC(=O)C5C4(CCC(=O)C5(C)C)C)C)C)OC1=O)C
SMILES (Isomeric) CC(=CCC[C@@H]1[C@@H]2[C@H](C[C@]3([C@]2(CC[C@H]4C3=CC(=O)[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)C)OC1=O)C
InChI InChI=1S/C30H42O4/c1-17(2)9-8-10-18-24-22(34-26(18)33)16-30(7)20-15-21(31)25-27(3,4)23(32)12-13-28(25,5)19(20)11-14-29(24,30)6/h9,15,18-19,22,24-25H,8,10-14,16H2,1-7H3/t18-,19+,22+,24-,25+,28-,29+,30-/m1/s1
InChI Key TZPDGDWBWUZEAM-LPYLZKPHSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C30H42O4
Molecular Weight 466.70 g/mol
Exact Mass 466.30830982 g/mol
Topological Polar Surface Area (TPSA) 60.40 Ų
XlogP 5.80

Synonyms

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64929-59-5
HY-N1281
AKOS032962368
FS-8920
CS-0016685
(2S,4S,7R,8S,9S,12R,13R,18R)-2,9,13,17,17-pentamethyl-7-(4-methylpent-3-enyl)-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-1(20)-ene-6,16,19-trione

2D Structure

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2D Structure of Sendanolactone

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.69% 96.09%
CHEMBL3746 P80365 11-beta-hydroxysteroid dehydrogenase 2 96.67% 94.78%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.91% 91.11%
CHEMBL204 P00734 Thrombin 93.90% 96.01%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 93.17% 94.45%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.32% 86.33%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 89.01% 96.38%
CHEMBL1994 P08235 Mineralocorticoid receptor 88.25% 100.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.34% 95.89%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.04% 97.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 85.54% 97.25%
CHEMBL3192 Q9BY41 Histone deacetylase 8 84.25% 93.99%
CHEMBL1937 Q92769 Histone deacetylase 2 84.16% 94.75%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.63% 95.56%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 83.49% 99.23%
CHEMBL2581 P07339 Cathepsin D 81.59% 98.95%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 81.22% 93.40%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 81.12% 82.69%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 81.00% 85.14%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 80.62% 92.62%

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.
Melia azedarach

Cross-Links

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PubChem 15906464
LOTUS LTS0080701
wikiData Q105268305