Lateritin

Details

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Internal ID ef2c6214-68e4-411d-902a-a603b7d92f4a
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acid esters
IUPAC Name 3-benzyl-4-methyl-6-propan-2-ylmorpholine-2,5-dione
SMILES (Canonical) CC(C)C1C(=O)N(C(C(=O)O1)CC2=CC=CC=C2)C
SMILES (Isomeric) CC(C)C1C(=O)N(C(C(=O)O1)CC2=CC=CC=C2)C
InChI InChI=1S/C15H19NO3/c1-10(2)13-14(17)16(3)12(15(18)19-13)9-11-7-5-4-6-8-11/h4-8,10,12-13H,9H2,1-3H3
InChI Key YOKBTBNVNCFOBF-UHFFFAOYSA-N
Popularity 12 references in papers

Physical and Chemical Properties

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Molecular Formula C15H19NO3
Molecular Weight 261.32 g/mol
Exact Mass 261.13649347 g/mol
Topological Polar Surface Area (TPSA) 46.60 Ų
XlogP 2.80

Synonyms

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65454-13-9
(3S,6R)-Lateritin
3-BENZYL-6-ISOPROPYL-4-METHYLMORPHOLINE-2,5-DIONE
Antibiotic PI290
2,5-Morpholinedione, 4-methyl-6-(1-methylethyl)-3-(phenylmethyl)-
3-benzyl-4-methyl-6-propan-2-ylmorpholine-2,5-dione
3-Benzyl-4-methyl-6-(propan-2-yl)morpholine-2,5-dione
DTXSID80984071
HB3694
4-Methyl-6-(1-methylethyl)-3-phenylmethyl-1,4-perhydrooxazine-2,5-dione
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Lateritin

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
CHEMBL2581 P07339 Cathepsin D 98.90% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.46% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.82% 95.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 90.92% 85.14%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 84.15% 85.94%
CHEMBL1978 P11511 Cytochrome P450 19A1 84.06% 91.76%
CHEMBL221 P23219 Cyclooxygenase-1 83.47% 90.17%
CHEMBL253 P34972 Cannabinoid CB2 receptor 80.55% 97.25%

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.
Micromeles japonica

Cross-Links

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PubChem 194215
LOTUS LTS0201724
wikiData Q77559627