Tetrocarcin F

Details

• Internal ID: fb2109c1-2467-4f0e-a863-b36d345cc1e4
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids
• IUPAC Name: [(2R,3R,4S,6R)-6-[[(1S,5S,6S,9R,11Z,13S,16S,17S,18R,20S,21S,22R)-3-formyl-5,23-dihydroxy-9-[(2R,4S,5S,6R)-5-(methoxycarbonylamino)-4,6-dimethyl-4-nitrooxan-2-yl]oxy-8,12,18,20,22-pentamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-3,7,11,14,23-pentaen-17-yl]oxy]-4-[(2R,5S,6R)-5-hydroxy-6-methyloxan-2-yl]oxy-2-methyloxan-3-yl] acetate
• InChI: InChI=1S/C55H76N2O19/c1-25-12-16-39(73-43-23-53(9,57(66)67)48(31(7)71-43)56-52(65)68-11)26(2)19-36-38(61)20-33(24-58)22-55(36)50(63)44(51(64)76-55)49(62)54(10)35(25)14-13-34-45(54)27(3)18-28(4)46(34)75-42-21-40(47(30(6)70-42)72-32(8)59)74-41-17-15-37(60)29(5)69-41/h12-14,19-20,24,27-31,34-43,45-48,60-62H,15-18,21-23H2,1-11H3,(H,56,65)/b25-12-,26-19?,49-44?/t27-,28+,29+,30+,31+,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,45-,46-,47+,48+,53-,54-,55-/m0/s1
• InChI Key: VNMRZYMWGLJOHX-LRSZROQDSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅₅H₇₆N₂O₁₉
• Molecular Weight: 1069.20 g/mol
• Exact Mass: 1068.50422820 g/mol
• Topological Polar Surface Area (TPSA): 287.00 Ų
• XlogP: 5.10

Synonyms

There are no found synonyms.

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	99.50%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	97.34%	95.56%
CHEMBL2581	P07339	Cathepsin D	96.25%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.79%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.40%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	92.84%	94.45%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	91.85%	99.23%
CHEMBL1806	P11388	DNA topoisomerase II alpha	91.76%	89.00%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	90.29%	91.07%
CHEMBL340	P08684	Cytochrome P450 3A4	90.10%	91.19%
CHEMBL241	Q14432	Phosphodiesterase 3A	89.52%	92.94%
CHEMBL216	P11229	Muscarinic acetylcholine receptor M1	88.99%	94.23%
CHEMBL5028	O14672	ADAM10	88.63%	97.50%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	88.49%	85.14%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.36%	97.09%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	86.32%	97.14%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	86.07%	95.64%
CHEMBL3401	O75469	Pregnane X receptor	86.04%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.34%	99.17%
CHEMBL1994	P08235	Mineralocorticoid receptor	84.80%	100.00%
CHEMBL1871	P10275	Androgen Receptor	83.89%	96.43%
CHEMBL3359	P21462	Formyl peptide receptor 1	83.67%	93.56%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	83.60%	95.89%
CHEMBL1821	P08173	Muscarinic acetylcholine receptor M4	83.58%	94.08%
CHEMBL4208	P20618	Proteasome component C5	82.44%	90.00%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	81.38%	94.33%
CHEMBL245	P20309	Muscarinic acetylcholine receptor M3	81.25%	97.53%
CHEMBL3713062	P10646	Tissue factor pathway inhibitor	80.53%	97.33%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	80.17%	99.15%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139589318
• LOTUS: LTS0062641
• wikiData: Q105289745