Fuzanin I

Details

• Internal ID: beaabacd-472d-4c79-9264-17f66816efdc
• Taxonomy: Organoheterocyclic compounds > Azolidines > Oxazolidines > Oxazolidinones
• IUPAC Name: (1S,7S,8R,8aS)-7-hydroxy-1-[(E)-5-hydroxyhex-1-enyl]-8-methyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
• SMILES (Canonical): CC1C(CCN2C1C(OC2=O)C=CCCC(C)O)O
• SMILES (Isomeric): C[C@H]1[C@H](CCN2[C@@H]1[C@@H](OC2=O)/C=C/CCC(C)O)O
• InChI: InChI=1S/C14H23NO4/c1-9(16)5-3-4-6-12-13-10(2)11(17)7-8-15(13)14(18)19-12/h4,6,9-13,16-17H,3,5,7-8H2,1-2H3/b6-4+/t9?,10-,11-,12-,13-/m0/s1
• InChI Key: AUKCGBMIXTUKDN-FQEWWJBMSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₂₃NO₄
• Molecular Weight: 269.34 g/mol
• Exact Mass: 269.16270821 g/mol
• Topological Polar Surface Area (TPSA): 70.00 Ų
• XlogP: 1.20

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
CHEMBL2581	P07339	Cathepsin D	96.70%	98.95%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	95.23%	85.14%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.24%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.11%	95.56%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	87.11%	90.71%
CHEMBL1806	P11388	DNA topoisomerase II alpha	86.06%	89.00%
CHEMBL253	P34972	Cannabinoid CB2 receptor	85.74%	97.25%
CHEMBL5608	Q16288	NT-3 growth factor receptor	85.61%	95.89%
CHEMBL4040	P28482	MAP kinase ERK2	85.45%	83.82%
CHEMBL4588	P22894	Matrix metalloproteinase 8	85.15%	94.66%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	83.79%	93.00%
CHEMBL2730	P21980	Protein-glutamine gamma-glutamyltransferase	83.56%	92.38%
CHEMBL5103	Q969S8	Histone deacetylase 10	82.66%	90.08%
CHEMBL2140	P48775	Tryptophan 2,3-dioxygenase	82.60%	98.46%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	82.41%	98.33%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	80.44%	95.89%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	80.19%	91.11%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 102484622
• LOTUS: LTS0177005
• wikiData: Q77508550