PlantaeDB Logo
Login Sign-up

Victorin D

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

Top
Internal ID 71eb5ff8-128d-483d-aa69-0444835f33b2
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides
IUPAC Name (3S,7E)-4-[[(2S,3R)-6-amino-2-[[(2S)-5,5-dichloro-2-[(2,2-dihydroxyacetyl)amino]-4-methylpentanoyl]amino]-3-hydroxyhexanoyl]amino]-7-(chloromethylidene)-5,8,13-trioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.3.0]pentadec-1(12)-ene-10-carboxylic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C31H45Cl3N6O12/c1-12(2)23-22(28(46)38-17(11-32)26(44)37-16(30(48)49)10-14-18(41)6-7-20(14)52-23)40-27(45)21(19(42)5-4-8-35)39-25(43)15(9-13(3)24(33)34)36-29(47)31(50)51/h11-13,15-16,19,21-24,31,42,50-51H,4-10,35H2,1-3H3,(H,36,47)(H,37,44)(H,38,46)(H,39,43)(H,40,45)(H,48,49)/b17-11+/t13?,15-,16?,19+,21-,22?,23-/m0/s1
InChI Key YTVZGOJWFDPCMG-LVANQBLFSA-N
Popularity 2 references in papers

Physical and Chemical Properties

Top
Molecular Formula C31H45Cl3N6O12
Molecular Weight 800.10 g/mol
Exact Mass 798.216104 g/mol
Topological Polar Surface Area (TPSA) 296.00 Ų
XlogP -2.30

Synonyms

Top
(3S,7E)-4-[[(2S,3R)-6-amino-2-[[(2S)-5,5-dichloro-2-[(2,2-dihydroxyacetyl)amino]-4-methylpentanoyl]amino]-3-hydroxyhexanoyl]amino]-7-(chloromethylidene)-5,8,13-trioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.3.0]pentadec-1(12)-ene-10-carboxylic acid
(3S,7E)-4-(((2S,3R)-6-amino-2-(((2S)-5,5-dichloro-2-((2,2-dihydroxyacetyl)amino)-4-methylpentanoyl)amino)-3-hydroxyhexanoyl)amino)-7-(chloromethylidene)-5,8,13-trioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo(10.3.0)pentadec-1(12)-ene-10-carboxylic acid
RefChem:194216
CHEBI:209826

2D Structure

Top
2D Structure of Victorin D

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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 98.37% 91.11%
CHEMBL4040 P28482 MAP kinase ERK2 98.26% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 98.24% 96.09%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 97.66% 92.29%
CHEMBL3837 P07711 Cathepsin L 97.63% 96.61%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 97.01% 94.45%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 96.95% 96.47%
CHEMBL221 P23219 Cyclooxygenase-1 96.89% 90.17%
CHEMBL2581 P07339 Cathepsin D 96.72% 98.95%
CHEMBL3267 P48736 PI3-kinase p110-gamma subunit 95.82% 95.71%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 94.28% 89.34%
CHEMBL3060 Q9Y345 Glycine transporter 2 93.02% 99.17%
CHEMBL4227 P25090 Lipoxin A4 receptor 92.26% 100.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 91.30% 90.71%
CHEMBL2413 P32246 C-C chemokine receptor type 1 91.27% 89.50%
CHEMBL3359 P21462 Formyl peptide receptor 1 91.27% 93.56%
CHEMBL3145 P42338 PI3-kinase p110-beta subunit 90.81% 98.75%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.46% 97.09%
CHEMBL230 P35354 Cyclooxygenase-2 90.05% 89.63%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.88% 95.56%
CHEMBL2492 P36544 Neuronal acetylcholine receptor protein alpha-7 subunit 88.01% 88.42%
CHEMBL1795139 Q8IU80 Transmembrane protease serine 6 86.97% 98.33%
CHEMBL2514 O95665 Neurotensin receptor 2 86.40% 100.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.35% 95.89%
CHEMBL2094135 Q96BI3 Gamma-secretase 86.32% 98.05%
CHEMBL5103 Q969S8 Histone deacetylase 10 85.65% 90.08%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 85.60% 94.33%
CHEMBL4588 P22894 Matrix metalloproteinase 8 83.81% 94.66%
CHEMBL5028 O14672 ADAM10 83.49% 97.50%
CHEMBL3776 Q14790 Caspase-8 83.41% 97.06%
CHEMBL299 P17252 Protein kinase C alpha 83.22% 98.03%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 82.88% 96.90%
CHEMBL255 P29275 Adenosine A2b receptor 82.07% 98.59%
CHEMBL3392948 Q9NP59 Solute carrier family 40 member 1 81.52% 95.00%
CHEMBL1744525 P43490 Nicotinamide phosphoribosyltransferase 81.23% 96.25%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 80.85% 99.23%
CHEMBL213 P08588 Beta-1 adrenergic receptor 80.82% 95.56%
CHEMBL5852 Q96P65 Pyroglutamylated RFamide peptide receptor 80.73% 85.00%
CHEMBL4296 Q15858 Sodium channel protein type IX alpha subunit 80.72% 96.11%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 80.65% 93.00%
CHEMBL2693 Q9UIQ6 Cystinyl aminopeptidase 80.39% 97.64%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 80.31% 95.50%

Plants that contains it

Top
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

Top
PubChem 139585771
LOTUS LTS0135009
wikiData Q77491347