Teucrin G

Details

• Internal ID: 4cbd7d58-8e9d-4720-96e3-fe387a018391
• Taxonomy: Organoheterocyclic compounds > Oxepanes
• IUPAC Name: (1R,5R,5'S,6S,8S,10S,11R,12R,14R)-5'-(furan-3-yl)-5,14-dihydroxy-12-methylspiro[3,7-dioxatetracyclo[8.4.0.01,5.06,8]tetradecane-11,3'-oxolane]-2',4-dione
• SMILES (Canonical): CC1CC(C23COC(=O)C2(C4C(O4)CC3C15CC(OC5=O)C6=COC=C6)O)O
• SMILES (Isomeric): C[C@@H]1C[C@H]([C@@]23COC(=O)[C@@]2([C@@H]4[C@@H](O4)C[C@@H]3[C@@]15C[C@H](OC5=O)C6=COC=C6)O)O
• InChI: InChI=1S/C20H22O8/c1-9-4-14(21)19-8-26-17(23)20(19,24)15-11(27-15)5-13(19)18(9)6-12(28-16(18)22)10-2-3-25-7-10/h2-3,7,9,11-15,21,24H,4-6,8H2,1H3/t9-,11+,12+,13-,14-,15+,18-,19+,20-/m1/s1
• InChI Key: RXCXIMNHJACJBR-WJNVTSDDSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₂O₈
• Molecular Weight: 390.40 g/mol
• Exact Mass: 390.13146766 g/mol
• Topological Polar Surface Area (TPSA): 119.00 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
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	98.19%	85.14%
CHEMBL3137262	O60341	LSD1/CoREST complex	93.94%	97.09%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.31%	96.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	88.30%	100.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.91%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	87.86%	89.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.10%	91.11%
CHEMBL221	P23219	Cyclooxygenase-1	86.95%	90.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.30%	86.33%
CHEMBL2039	P27338	Monoamine oxidase B	84.55%	92.51%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	84.04%	93.40%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.87%	99.23%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.96%	94.45%

Plants that contains it

• Teucrium barbeyanum
• Teucrium chamaedrys
• Teucrium divaricatum
• Teucrium microphyllum

Cross-Links

• PubChem: 102059824
• LOTUS: LTS0219040
• wikiData: Q104393352