Prochamazulenogenin

Details

• Internal ID: f78bc2e5-9fdc-42fd-89e9-8c00d9dfe112
• Taxonomy: Organoheterocyclic compounds > Lactones > Gamma butyrolactones
• IUPAC Name: 6-hydroxy-3,6,9-trimethyl-3,3a,4,5,8,9b-hexahydroazuleno[4,5-b]furan-2-one
• SMILES (Canonical): CC1C2CCC(C3=CCC(=C3C2OC1=O)C)(C)O
• SMILES (Isomeric): CC1C2CCC(C3=CCC(=C3C2OC1=O)C)(C)O
• InChI: InChI=1S/C15H20O3/c1-8-4-5-11-12(8)13-10(6-7-15(11,3)17)9(2)14(16)18-13/h5,9-10,13,17H,4,6-7H2,1-3H3
• InChI Key: BXBCLQRTBGRRDB-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₀O₃
• Molecular Weight: 248.32 g/mol
• Exact Mass: 248.14124450 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 1.00

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.33%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.94%	95.56%
CHEMBL253	P34972	Cannabinoid CB2 receptor	89.59%	97.25%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	86.08%	99.23%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.89%	97.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	83.60%	100.00%
CHEMBL2581	P07339	Cathepsin D	81.07%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	81.07%	94.45%

Plants that contains it

• Artemisia absinthium

Cross-Links

• PubChem: 5089295
• LOTUS: LTS0044273
• wikiData: Q104947845