3-hydroxy-4,4,8,11b-tetramethyl-2,3,4a,5,6,10a,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-9-one

Details

• Internal ID: 15774141-fddc-436d-8456-ce509d4ac1d3
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones
• IUPAC Name: 3-hydroxy-4,4,8,11b-tetramethyl-2,3,4a,5,6,10a,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-9-one
• InChI: InChI=1S/C20H28O3/c1-11-13-9-12-5-6-16-19(2,3)17(21)7-8-20(16,4)14(12)10-15(13)23-18(11)22/h9,14-17,21H,5-8,10H2,1-4H3
• InChI Key: KZIADLALQLRZIQ-UHFFFAOYSA-N
• Popularity: 5 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₈O₃
• Molecular Weight: 316.40 g/mol
• Exact Mass: 316.20384475 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 3.20

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.42%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.69%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.06%	97.09%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	88.25%	99.23%
CHEMBL1994	P08235	Mineralocorticoid receptor	87.12%	100.00%
CHEMBL2581	P07339	Cathepsin D	85.45%	98.95%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	85.04%	94.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.10%	95.89%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.35%	86.33%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	80.86%	82.69%

Plants that contains it

• Euphorbia calyptrata
• Euphorbia helioscopia
• Euphorbia micractina
• Euphorbia semiperfoliata
• Strobilanthes yunnanensis
• Suregada multiflora

Cross-Links

• PubChem: 5260238
• LOTUS: LTS0207446
• wikiData: Q105148162