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Momordicinin

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 9cd799c6-715d-4f9d-b0dd-653476cb2d1d
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Triterpenoids
IUPAC Name 4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-one
SMILES (Canonical) CC1CCC23CCC4(C5(CCC6C(C(=O)CCC6(C5C=CC4(C2C1C)OC3)C)(C)C)C)C
SMILES (Isomeric) CC1CCC23CCC4(C5(CCC6C(C(=O)CCC6(C5C=CC4(C2C1C)OC3)C)(C)C)C)C
InChI InChI=1S/C30H46O2/c1-19-8-14-29-17-16-28(7)27(6)13-9-21-25(3,4)23(31)11-12-26(21,5)22(27)10-15-30(28,32-18-29)24(29)20(19)2/h10,15,19-22,24H,8-9,11-14,16-18H2,1-7H3
InChI Key PKMBOLUTQNQQBP-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C30H46O2
Molecular Weight 438.70 g/mol
Exact Mass 438.349780706 g/mol
Topological Polar Surface Area (TPSA) 26.30 Ų
XlogP 7.10

Synonyms

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SCHEMBL21264287
CHEBI:190390
BDBM604155
13b,28-Epoxy-11-ursen-3-one
US11660306, Example Momordicinin
4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-one

2D Structure

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2D Structure of Momordicinin

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 94.95% 91.11%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 94.75% 85.30%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.27% 95.56%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 89.25% 99.23%
CHEMBL1994 P08235 Mineralocorticoid receptor 89.07% 100.00%
CHEMBL2581 P07339 Cathepsin D 88.91% 98.95%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 86.85% 82.69%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.84% 97.09%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.50% 96.09%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 84.74% 93.04%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.33% 86.33%
CHEMBL1937 Q92769 Histone deacetylase 2 82.90% 94.75%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 82.69% 94.00%
CHEMBL253 P34972 Cannabinoid CB2 receptor 82.44% 97.25%
CHEMBL2094127 P06493 Cyclin-dependent kinase 1/cyclin B 82.32% 96.00%
CHEMBL259 P32245 Melanocortin receptor 4 80.04% 95.38%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 80.01% 96.38%

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.
Momordica charantia

Cross-Links

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PubChem 14526924
LOTUS LTS0053752
wikiData Q105210492