Salternamide D

Details

• Internal ID: cace71ca-bd90-4ec7-8af0-a8de9b210ee5
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Monocyclic monoterpenoids
• IUPAC Name: 5-[(1R,6S)-1,6-dihydroxy-4-oxo-3-[[(2E,4S,6R)-2,4,6,8-tetramethylnona-2,7-dienoyl]amino]cyclohex-2-en-1-yl]pentanoic acid
• SMILES (Canonical): CC(CC(C)C=C(C)C(=O)NC1=CC(C(CC1=O)O)(CCCCC(=O)O)O)C=C(C)C
• SMILES (Isomeric): C[C@H](C[C@H](C)/C=C(\C)/C(=O)NC1=C[C@@]([C@H](CC1=O)O)(CCCCC(=O)O)O)C=C(C)C
• InChI: InChI=1S/C24H37NO6/c1-15(2)10-16(3)11-17(4)12-18(5)23(30)25-19-14-24(31,21(27)13-20(19)26)9-7-6-8-22(28)29/h10,12,14,16-17,21,27,31H,6-9,11,13H2,1-5H3,(H,25,30)(H,28,29)/b18-12+/t16-,17-,21-,24+/m0/s1
• InChI Key: LZFIRHDCWUBDFU-FUPKPIDSSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₄H₃₇NO₆
• Molecular Weight: 435.60 g/mol
• Exact Mass: 435.26208790 g/mol
• Topological Polar Surface Area (TPSA): 124.00 Ų
• XlogP: 2.80

Synonyms

• CHEMBL3581260

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	98.61%	91.11%
CHEMBL2581	P07339	Cathepsin D	97.69%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.49%	96.09%
CHEMBL221	P23219	Cyclooxygenase-1	97.24%	90.17%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	92.73%	85.14%
CHEMBL3060	Q9Y345	Glycine transporter 2	91.82%	99.17%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.79%	94.45%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	86.43%	90.71%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.17%	95.56%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.58%	99.23%
CHEMBL340	P08684	Cytochrome P450 3A4	85.56%	91.19%
CHEMBL5163	Q9NY46	Sodium channel protein type III alpha subunit	83.85%	96.90%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.54%	95.89%
CHEMBL3359	P21462	Formyl peptide receptor 1	82.39%	93.56%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	82.13%	93.00%
CHEMBL4227	P25090	Lipoxin A4 receptor	81.42%	100.00%
CHEMBL299	P17252	Protein kinase C alpha	80.37%	98.03%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	80.16%	89.34%

Plants that contains it

• Lupinus gibertianus
• Lupinus hintonii
• Lupinus polyphyllus

Cross-Links

• PubChem: 122178715
• LOTUS: LTS0134573
• wikiData: Q104253368