Fuzanin B

Details

• Internal ID: 4fefdad5-68b2-4515-99d0-8770e563b343
• Taxonomy: Organoheterocyclic compounds > Azolidines > Oxazolidines > Oxazolidinones
• IUPAC Name: (1S,6R,8aS)-6-hydroxy-1-[(1E,3E,5R)-5-hydroxyhexa-1,3-dienyl]-8-methyl-1,5,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
• SMILES (Canonical): CC1=CC(CN2C1C(OC2=O)C=CC=CC(C)O)O
• SMILES (Isomeric): CC1=C[C@H](CN2[C@@H]1[C@@H](OC2=O)/C=C/C=C/[C@@H](C)O)O
• InChI: InChI=1S/C14H19NO4/c1-9-7-11(17)8-15-13(9)12(19-14(15)18)6-4-3-5-10(2)16/h3-7,10-13,16-17H,8H2,1-2H3/b5-3+,6-4+/t10-,11-,12+,13+/m1/s1
• InChI Key: BESRALYTNWDJSD-WKIVEWPHSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₉NO₄
• Molecular Weight: 265.30 g/mol
• Exact Mass: 265.13140809 g/mol
• Topological Polar Surface Area (TPSA): 70.00 Ų
• XlogP: 0.10

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.48%	95.56%
CHEMBL2581	P07339	Cathepsin D	94.21%	98.95%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	87.96%	90.71%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	87.84%	93.40%
CHEMBL1806	P11388	DNA topoisomerase II alpha	87.52%	89.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.96%	99.23%
CHEMBL3359	P21462	Formyl peptide receptor 1	84.60%	93.56%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	82.16%	85.14%
CHEMBL1951	P21397	Monoamine oxidase A	82.12%	91.49%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	81.99%	96.09%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.41%	95.89%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 25178867
• LOTUS: LTS0124569
• wikiData: Q77423436