Latrunculol C

Details

• Internal ID: 4986e211-6c12-4187-b16c-93ba0f27e725
• Taxonomy: Phenylpropanoids and polyketides > Macrolides and analogues
• IUPAC Name: (4R)-4-[(1R,4Z,8R,9S,10Z,12S,15R,17R)-8,9,17-trihydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,10-dien-17-yl]-1,3-thiazolidin-2-one
• SMILES (Canonical): CC1CCC2CC(CC(O2)(C3CSC(=O)N3)O)OC(=O)C=C(CCC(C(C=C1)O)O)C
• SMILES (Isomeric): C[C@H]/1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)/C=C(\CC[C@H]([C@H](/C=C1)O)O)/C
• InChI: InChI=1S/C22H33NO7S/c1-13-3-6-15-10-16(11-22(28,30-15)19-12-31-21(27)23-19)29-20(26)9-14(2)5-8-18(25)17(24)7-4-13/h4,7,9,13,15-19,24-25,28H,3,5-6,8,10-12H2,1-2H3,(H,23,27)/b7-4-,14-9-/t13-,15+,16+,17-,18+,19-,22+/m0/s1
• InChI Key: JIGPCDTWTJZFFF-FLEVLNCLSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₂H₃₃NO₇S
• Molecular Weight: 455.60 g/mol
• Exact Mass: 455.19777357 g/mol
• Topological Polar Surface Area (TPSA): 151.00 Ų
• XlogP: 1.50

Synonyms

• CHEMBL486344

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
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	98.89%	85.14%
CHEMBL253	P34972	Cannabinoid CB2 receptor	97.41%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.06%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.00%	95.56%
CHEMBL3137262	O60341	LSD1/CoREST complex	93.59%	97.09%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	91.71%	99.23%
CHEMBL1994	P08235	Mineralocorticoid receptor	89.56%	100.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.38%	96.09%
CHEMBL1806	P11388	DNA topoisomerase II alpha	87.56%	89.00%
CHEMBL1871	P10275	Androgen Receptor	87.55%	96.43%
CHEMBL241	Q14432	Phosphodiesterase 3A	82.02%	92.94%
CHEMBL3401	O75469	Pregnane X receptor	81.28%	94.73%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.61%	95.89%
CHEMBL2581	P07339	Cathepsin D	80.21%	98.95%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 25150347
• LOTUS: LTS0077602
• wikiData: Q105129024