(1e)-3-Methoxy-8,12-epoxygermacra-1,7,10,11-tetraen-6-one

Details

• Internal ID: a1df8bf1-5209-42b0-8531-aeba442b9686
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids
• IUPAC Name: 7-methoxy-3,6-dimethyl-10-methylidene-5,6,7,11-tetrahydrocyclodeca[b]furan-4-one
• InChI: InChI=1S/C16H20O3/c1-10-5-6-14(18-4)11(2)8-13(17)16-12(3)9-19-15(16)7-10/h5-6,9,11,14H,1,7-8H2,2-4H3
• InChI Key: KYVMPRMAGALGDM-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₀O₃
• Molecular Weight: 260.33 g/mol
• Exact Mass: 260.14124450 g/mol
• Topological Polar Surface Area (TPSA): 39.40 Ų
• XlogP: 2.80

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
CHEMBL2581	P07339	Cathepsin D	93.39%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.29%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.25%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	90.15%	97.09%
CHEMBL4803	P29474	Nitric-oxide synthase, endothelial	85.82%	86.00%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	85.81%	94.80%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.87%	86.33%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	82.17%	94.00%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	81.79%	97.14%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	81.64%	99.23%
CHEMBL3401	O75469	Pregnane X receptor	81.15%	94.73%

Plants that contains it

• Commiphora gileadensis
• Commiphora kataf
• Commiphora myrrha
• Commiphora sphaerocarpa

Cross-Links

• PubChem: 85317076
• LOTUS: LTS0079281
• wikiData: Q105147975