variecolorin L

Details

• Internal ID: ab1c33f3-dc71-481c-988c-4dd3dfa0e261
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: (3S,6S)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-4,5-bis(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]piperazine-2,5-dione
• SMILES (Canonical): CC1C(=O)NC(C(=O)N1)CC2=C(NC3=C2C(=C(C=C3)CC=C(C)C)CC=C(C)C)C(C)(C)C=C
• SMILES (Isomeric): C[C@H]1C(=O)N[C@H](C(=O)N1)CC2=C(NC3=C2C(=C(C=C3)CC=C(C)C)CC=C(C)C)C(C)(C)C=C
• InChI: InChI=1S/C29H39N3O2/c1-9-29(7,8)26-22(16-24-28(34)30-19(6)27(33)32-24)25-21(14-11-18(4)5)20(12-10-17(2)3)13-15-23(25)31-26/h9-11,13,15,19,24,31H,1,12,14,16H2,2-8H3,(H,30,34)(H,32,33)/t19-,24-/m0/s1
• InChI Key: XYEWKBJTXXXGRB-CYFREDJKSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₉H₃₉N₃O₂
• Molecular Weight: 461.60 g/mol
• Exact Mass: 461.30422750 g/mol
• Topological Polar Surface Area (TPSA): 74.00 Ų
• XlogP: 7.00

Synonyms

• CHEMBL400767
• CHEBI:193008
• cyclo-L-2-tert-DMA-4,5-di-DMA-Trp-L-Ala

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

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	98.32%	91.11%
CHEMBL2581	P07339	Cathepsin D	97.66%	98.95%
CHEMBL253	P34972	Cannabinoid CB2 receptor	95.19%	97.25%
CHEMBL1937	Q92769	Histone deacetylase 2	94.83%	94.75%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	94.20%	94.45%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	91.16%	89.34%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.72%	95.56%
CHEMBL1907605	P24864	Cyclin-dependent kinase 2/cyclin E1	88.60%	92.88%
CHEMBL1951	P21397	Monoamine oxidase A	88.50%	91.49%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.46%	96.09%
CHEMBL255	P29275	Adenosine A2b receptor	88.22%	98.59%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.25%	86.33%
CHEMBL1902	P62942	FK506-binding protein 1A	84.52%	97.05%
CHEMBL5163	Q9NY46	Sodium channel protein type III alpha subunit	83.98%	96.90%
CHEMBL3401	O75469	Pregnane X receptor	82.22%	94.73%
CHEMBL5103	Q969S8	Histone deacetylase 10	80.87%	90.08%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	80.66%	91.71%
CHEMBL3230	O95977	Sphingosine 1-phosphate receptor Edg-6	80.22%	94.01%
CHEMBL3310	Q96DB2	Histone deacetylase 11	80.10%	88.56%
CHEMBL1994	P08235	Mineralocorticoid receptor	80.07%	100.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 23655532
• LOTUS: LTS0125878
• wikiData: Q77419764