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Minutissamide G

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 92fd6280-a88b-4c4b-8814-007a539558ce
Taxonomy Phenylpropanoids and polyketides > Macrolactams
IUPAC Name 3-[(3S,6S,9R,12S,15S,18S,21E,24S,27R,28R,31S)-3-(2-amino-2-oxoethyl)-21-ethylidene-27-hydroxy-15,18-bis[(1R)-1-hydroxyethyl]-28-[(2S)-13-hydroxyhexadecan-2-yl]-6-[(1R)-1-methoxyethyl]-4,9-dimethyl-2,5,8,11,14,17,20,23,26,30-decaoxo-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29-decazabicyclo[29.3.0]tetratriacontan-12-yl]propanamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C59H102N12O17/c1-12-23-37(74)25-21-19-17-15-14-16-18-20-24-32(5)45-49(77)57(85)65-44(31(3)4)54(82)63-38(13-2)51(79)67-47(35(8)73)56(84)68-46(34(7)72)55(83)64-39(27-28-42(60)75)52(80)62-33(6)50(78)69-48(36(9)88-11)59(87)70(10)41(30-43(61)76)58(86)71-29-22-26-40(71)53(81)66-45/h13,31-37,39-41,44-49,72-74,77H,12,14-30H2,1-11H3,(H2,60,75)(H2,61,76)(H,62,80)(H,63,82)(H,64,83)(H,65,85)(H,66,81)(H,67,79)(H,68,84)(H,69,78)/b38-13+/t32-,33+,34+,35+,36+,37?,39-,40-,41-,44-,45+,46-,47-,48-,49+/m0/s1
InChI Key DJGAMFBGLLUORT-BVKVIBLSSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C59H102N12O17
Molecular Weight 1251.50 g/mol
Exact Mass 1250.74858983 g/mol
Topological Polar Surface Area (TPSA) 450.00 Ų
XlogP 1.80

Synonyms

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CHEMBL2148018

2D Structure

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2D Structure of Minutissamide G

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 99.78% 96.09%
CHEMBL2581 P07339 Cathepsin D 99.69% 98.95%
CHEMBL1937 Q92769 Histone deacetylase 2 97.72% 94.75%
CHEMBL253 P34972 Cannabinoid CB2 receptor 97.15% 97.25%
CHEMBL2069156 Q14145 Kelch-like ECH-associated protein 1 97.12% 82.38%
CHEMBL5103 Q969S8 Histone deacetylase 10 96.99% 90.08%
CHEMBL3837 P07711 Cathepsin L 96.91% 96.61%
CHEMBL4588 P22894 Matrix metalloproteinase 8 96.40% 94.66%
CHEMBL325 Q13547 Histone deacetylase 1 95.80% 95.92%
CHEMBL221 P23219 Cyclooxygenase-1 95.59% 90.17%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 95.58% 94.45%
CHEMBL333 P08253 Matrix metalloproteinase-2 95.04% 96.31%
CHEMBL5608 Q16288 NT-3 growth factor receptor 95.04% 95.89%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 94.61% 93.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.28% 91.11%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 94.17% 96.47%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 93.69% 90.71%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 93.00% 100.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 92.91% 85.14%
CHEMBL3137262 O60341 LSD1/CoREST complex 92.91% 97.09%
CHEMBL3392948 Q9NP59 Solute carrier family 40 member 1 92.84% 95.00%
CHEMBL1902 P62942 FK506-binding protein 1A 92.59% 97.05%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 91.97% 95.50%
CHEMBL228 P31645 Serotonin transporter 91.78% 95.51%
CHEMBL2443 P49862 Kallikrein 7 91.70% 94.00%
CHEMBL332 P03956 Matrix metalloproteinase-1 91.54% 94.50%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.54% 95.56%
CHEMBL321 P14780 Matrix metalloproteinase 9 90.38% 92.12%
CHEMBL3267 P48736 PI3-kinase p110-gamma subunit 90.29% 95.71%
CHEMBL4040 P28482 MAP kinase ERK2 89.57% 83.82%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 88.99% 91.03%
CHEMBL4227 P25090 Lipoxin A4 receptor 88.89% 100.00%
CHEMBL213 P08588 Beta-1 adrenergic receptor 88.87% 95.56%
CHEMBL4005 P42336 PI3-kinase p110-alpha subunit 88.28% 97.47%
CHEMBL1949 P62937 Cyclophilin A 87.93% 98.57%
CHEMBL226 P30542 Adenosine A1 receptor 87.83% 95.93%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 87.36% 93.03%
CHEMBL3359 P21462 Formyl peptide receptor 1 87.21% 93.56%
CHEMBL2413 P32246 C-C chemokine receptor type 1 87.19% 89.50%
CHEMBL2693 Q9UIQ6 Cystinyl aminopeptidase 86.71% 97.64%
CHEMBL4660 P28907 Lymphocyte differentiation antigen CD38 86.64% 95.27%
CHEMBL3145 P42338 PI3-kinase p110-beta subunit 86.37% 98.75%
CHEMBL299 P17252 Protein kinase C alpha 84.62% 98.03%
CHEMBL3045 P05771 Protein kinase C beta 84.37% 97.63%
CHEMBL2072 P35499 Sodium channel protein type IV alpha subunit 84.15% 92.32%
CHEMBL2095194 P08709 Coagulation factor VII/tissue factor 84.05% 99.17%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 83.66% 91.81%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 83.51% 97.29%
CHEMBL2094135 Q96BI3 Gamma-secretase 83.30% 98.05%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.98% 86.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.35% 99.17%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 82.20% 92.86%
CHEMBL1871 P10275 Androgen Receptor 82.15% 96.43%
CHEMBL4071 P08311 Cathepsin G 81.90% 94.64%
CHEMBL2730 P21980 Protein-glutamine gamma-glutamyltransferase 81.46% 92.38%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 81.19% 91.07%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 81.07% 92.88%
CHEMBL2001 Q9H244 Purinergic receptor P2Y12 80.81% 96.00%
CHEMBL5203 P33316 dUTP pyrophosphatase 80.61% 99.18%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 80.08% 99.23%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 71449333
LOTUS LTS0207411
wikiData Q105104002