Tabarin

Details

• Internal ID: 4158ffbe-a4ce-4d58-b279-cd8eed977af1
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Eudesmanolides, secoeudesmanolides, and derivatives
• IUPAC Name: (3S,3aR,4S,5aR,9R,9aS,9bS)-4,9-dihydroxy-3,5a,9-trimethyl-3,3a,4,5,9a,9b-hexahydrobenzo[g][1]benzofuran-2,6-dione
• SMILES (Canonical): CC1C2C(CC3(C(C2OC1=O)C(C=CC3=O)(C)O)C)O
• SMILES (Isomeric): C[C@H]1[C@@H]2[C@H](C[C@@]3([C@@H]([C@H]2OC1=O)[C@](C=CC3=O)(C)O)C)O
• InChI: InChI=1S/C15H20O5/c1-7-10-8(16)6-14(2)9(17)4-5-15(3,19)12(14)11(10)20-13(7)18/h4-5,7-8,10-12,16,19H,6H2,1-3H3/t7-,8-,10+,11-,12+,14-,15+/m0/s1
• InChI Key: GFGHRAGWPYQVRH-IIDCHLLASA-N
• Popularity: 57 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₀O₅
• Molecular Weight: 280.32 g/mol
• Exact Mass: 280.13107373 g/mol
• Topological Polar Surface Area (TPSA): 83.80 Ų
• XlogP: 0.30

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
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	96.76%	85.14%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.04%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	94.18%	91.49%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.66%	96.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	88.21%	100.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.78%	95.56%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.21%	94.45%
CHEMBL1806	P11388	DNA topoisomerase II alpha	83.77%	89.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.51%	99.23%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.34%	86.33%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.60%	97.09%

Plants that contains it

• Artemisia cana
• Ipomoea nil

Cross-Links

• PubChem: 15479022
• LOTUS: LTS0269277
• wikiData: Q105152747