PlantaeDB Logo
Login Sign-up

Dihydroplakinamine K

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 8fa764be-aa2e-46d5-b77c-310864c0172d
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Triterpenoids
IUPAC Name [(3R,4R,5R,9R,10R,13R,14R,17R)-10,13-dimethyl-3-(methylamino)-17-[(2R)-1-(3-propan-2-ylpyrrolidin-2-yl)propan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C32H54N2O2/c1-19(2)22-14-17-34-29(22)18-20(3)24-10-11-25-23-8-9-27-30(36-21(4)35)28(33-7)13-16-32(27,6)26(23)12-15-31(24,25)5/h8,19-20,22,24-30,33-34H,9-18H2,1-7H3/t20-,22?,24-,25+,26+,27+,28-,29?,30-,31-,32-/m1/s1
InChI Key RWTFLBCUUBVVCW-XGHKHTGLSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

Top
Molecular Formula C32H54N2O2
Molecular Weight 498.80 g/mol
Exact Mass 498.41852897 g/mol
Topological Polar Surface Area (TPSA) 50.40 Ų
XlogP 6.90

Synonyms

Top
24,25-dihydroplakinamine K
CHEMBL469288
[(3R,4R,5R,9R,10R,13R,14R,17R)-10,13-dimethyl-3-(methylamino)-17-[(2R)-1-(3-propan-2-ylpyrrolidin-2-yl)propan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate

2D Structure

Top
2D Structure of Dihydroplakinamine K

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
CHEMBL253 P34972 Cannabinoid CB2 receptor 98.72% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 98.71% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 97.25% 94.45%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 96.12% 82.69%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.85% 91.11%
CHEMBL2581 P07339 Cathepsin D 93.02% 98.95%
CHEMBL5608 Q16288 NT-3 growth factor receptor 91.94% 95.89%
CHEMBL3137262 O60341 LSD1/CoREST complex 91.60% 97.09%
CHEMBL2996 Q05655 Protein kinase C delta 90.60% 97.79%
CHEMBL4072 P07858 Cathepsin B 89.92% 93.67%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 89.65% 91.03%
CHEMBL221 P23219 Cyclooxygenase-1 89.52% 90.17%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 88.17% 93.03%
CHEMBL1907602 P06493 Cyclin-dependent kinase 1/cyclin B1 87.34% 91.24%
CHEMBL5028 O14672 ADAM10 87.14% 97.50%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 87.06% 92.88%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 86.45% 94.33%
CHEMBL1937 Q92769 Histone deacetylase 2 85.96% 94.75%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 84.94% 95.89%
CHEMBL4227 P25090 Lipoxin A4 receptor 84.76% 100.00%
CHEMBL340 P08684 Cytochrome P450 3A4 84.72% 91.19%
CHEMBL3437 Q16853 Amine oxidase, copper containing 84.16% 94.00%
CHEMBL3922 P50579 Methionine aminopeptidase 2 84.15% 97.28%
CHEMBL1994 P08235 Mineralocorticoid receptor 83.81% 100.00%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 83.13% 91.07%
CHEMBL4051 P13569 Cystic fibrosis transmembrane conductance regulator 82.58% 95.71%
CHEMBL2782 P35610 Acyl coenzyme A:cholesterol acyltransferase 1 81.96% 91.65%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 81.58% 96.38%
CHEMBL3055 P50613 Cyclin-dependent kinase 7 80.79% 81.88%
CHEMBL3359 P21462 Formyl peptide receptor 1 80.14% 93.56%
CHEMBL2413 P32246 C-C chemokine receptor type 1 80.02% 89.50%

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 11260519
LOTUS LTS0207688
wikiData Q105246744